SCHEMBL6304749

SCHEMBL6304749

COc1ccc(Sc2ccc(C(=O)NC3CC4CC3CN4)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
GAA P10253 1/20 0.43
SSTR3 P32745 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F10 P00742 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
EZH2 Q15910 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GRM5 P41594 1/20 0.40
CNR2 P34972 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL6306961 0.91 MTNR1A (0.46) CHRNA7EZH2NPC1RAB9ASMN1; SMN2
SCHEMBL6310558 0.90 NAAA (0.49) GAASSTR3L3MBTL1F10CA1
SCHEMBL6305855 0.87 HPGD (0.46) CHRNA7L3MBTL1EZH2ALDH1A1LMNA
SCHEMBL6303374 0.87 CHRNA7 (0.56) CHRNA7EZH2NPC1RAB9ASMN1; SMN2
SCHEMBL6310723 0.86 CHRNA7 (0.46) CHRNA7EZH2CNR2GRM2GRM3
SCHEMBL6690868 0.85 POLB (0.43) GAAL3MBTL1ALDH1A1LMNA
SCHEMBL6310395 0.85 CHRNA7 (0.40) CHRNA7EZH2RAB9A
SCHEMBL6311528 0.85 CHRNA7 (0.46) CHRNA7L3MBTL1F10EZH2NPC1
SCHEMBL6306561 0.85 CHRNA7 (0.46) CHRNA7EZH2LMNA
SCHEMBL6311196 0.85 CHRNA7 (0.46) CHRNA7EZH2NPC1RAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (1 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885GAA 33/4885SSTR3 1565/4885

“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.