SCHEMBL1047600

SCHEMBL1047600

[O]Cc1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
GAA P10253 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DAO P14920 1/20 0.38
BCHE P06276 1/20 0.37
AR P10275 1/20 0.36
NFE2L2 Q16236 1/20 0.36
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28795881 0.87 TAAR1 (0.39) TAAR1CES2CES1GAAKDM4E
SCHEMBL3040407 0.83 TAAR1 (0.61) TAAR1GAAKDM4EDAOMAPT
SCHEMBL15352403 0.83 EED (0.40) TAAR1CES2CES1GAAKDM4E
SCHEMBL28838777 0.79 TAAR1 (0.43) TAAR1ALDH1A1
SCHEMBL6206211 0.78 TAAR1 (0.45) TAAR1CES2CES1GAAKDM4E
SCHEMBL7030193 0.77 TAAR1 (0.43) TAAR1CES2CES1GAAKDM4E
SCHEMBL7701701 0.75 TAAR1 (0.52) TAAR1CES2CES1GAAKDM4E
SCHEMBL5205493 0.75 TAAR1 (0.46) TAAR1CES2CES1GAAKDM4E
SCHEMBL18243095 0.74 TAAR1 (0.42) TAAR1CES2CES1GAAKDM4E
SCHEMBL13615074 0.73 TAAR1 (0.44) TAAR1CES2CES1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008355-B Compound and its purposes as BACE inhibitor 阿斯利康(瑞典)有限公司 2019-05-03 CN claimed
CN-103608347-B Imidazopyridine ASTELLAS PHARMA INC. (JP) 2016-04-27 CN claimed
CN-103608347-A Imidazopyridine compound ASTELLAS PHARMA INC 2014-02-26 CN claimed
US-20100323953-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS PHENOMIX CORPORATION (US) 2010-12-23 US claimed
EP-2111227-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS Phenomix Corporation (US) 2009-10-28 EP claimed
WO-2008086161-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS PHENOMIX CORPORATION (US) 2008-07-17 WO 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-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-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-08 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-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed

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

For each of this compound's patents that has machine-readable text (13 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 2328/4885CES2 111/4885CES1 16/4885
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885CES2 111/4885CES1 16/4885
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885CES2 111/4885CES1 16/4885
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885CES2 111/4885CES1 16/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP TAAR1 2325/4885CES2 156/4885CES1 23/4885
US-20100323953-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS CTSC, HAVCR2, TMPRSS15 TAAR1 4645/4885CES2 971/4885CES1 107/4885
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885CES2 111/4885CES1 16/4885
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885CES2 111/4885CES1 16/4885
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885CES2 111/4885CES1 16/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885CES2 111/4885CES1 16/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP TAAR1 1955/4885CES2 161/4885CES1 30/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP TAAR1 2264/4885CES2 168/4885CES1 23/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TAAR1 2328/4885CES2 111/4885CES1 16/4885

“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.