SCHEMBL5844759

SCHEMBL5844759

CC(C)(O)Cc1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
MEN1 O00255 1/20 0.37
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDH1 O75874 1/20 0.36
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL73959 0.82 TAAR1 (0.46) TAAR1DRD2DRD3OPRM1OPRD1
SCHEMBL3802562 0.80 SLC6A2 (0.52) TAAR1DRD2DRD3OPRM1OPRD1
SCHEMBL27788552 0.76 OPRM1 (0.42) TAAR1OPRM1OPRD1OPRK1MEN1
SCHEMBL10806221 0.76 OPRM1 (0.42) TAAR1OPRM1OPRD1OPRK1MEN1
SCHEMBL28985548 0.75 SLC1A3 (0.43) TAAR1OPRM1OPRD1OPRK1MEN1
SCHEMBL27721177 0.75 OPRM1 (0.44) TAAR1OPRM1OPRD1OPRK1NPC1
SCHEMBL19824759 0.74 DRD2 (0.44) TAAR1DRD2DRD3OPRM1OPRD1
SCHEMBL18888538 0.74 TAAR1 (0.44) TAAR1DRD2DRD3OPRM1OPRD1
SCHEMBL7354627 0.74 DRD2 (0.41) TAAR1DRD2DRD3OPRM1OPRD1
SCHEMBL7354633 0.74 MEN1 (0.47) TAAR1DRD2DRD3OPRM1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-12-04 US claimed
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-07-03 US claimed
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-07-03 US claimed
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-26 US claimed
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-19 US claimed
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-12 US claimed
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-05 US claimed
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-29 US claimed
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-22 US claimed
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-01 US claimed
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-27 US claimed
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-06 US claimed
CN-110392688-B Compounds for inhibition of ROR-gamma-T 伊莱利利公司 2021-09-10 CN disclosed
EP-3589637-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-14 EP disclosed
EP-3589637-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-14 EP disclosed
US-10603320-B2 Compounds useful for inhibiting ROR-gamma-t ELI LILLY AND COMPANY (US) 2020-03-31 US disclosed
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-08-29 US disclosed
US-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 US disclosed
EP-0863878-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
WO-1997010218-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1997-03-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885DRD2 4197/4885DRD3 3449/4885
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885DRD2 4197/4885DRD3 3449/4885
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885DRD2 4197/4885DRD3 3449/4885
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP TAAR1 1051/4885DRD2 3852/4885DRD3 3000/4885
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885DRD2 4197/4885DRD3 3449/4885
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885DRD2 4197/4885DRD3 3449/4885
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885DRD2 4197/4885DRD3 3449/4885
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885DRD2 4197/4885DRD3 3449/4885
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PLTP TAAR1 1740/4885DRD2 3682/4885DRD3 2658/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885DRD2 4197/4885DRD3 3449/4885
US-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, MTTP TAAR1 2034/4885DRD2 3856/4885DRD3 3448/4885
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI TAAR1 1766/4885DRD2 2718/4885DRD3 2288/4885
US-10603320-B2 Compounds useful for inhibiting ROR-gamma-t RORC, RORB, RORA TAAR1 2106/4885DRD2 4135/4885DRD3 3639/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885DRD2 4197/4885DRD3 3449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.