SCHEMBL6310558

SCHEMBL6310558

COc1ccc(Oc2ccc(C(=O)NC3CC4CC3CN4)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.49
GAA P10253 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
SSTR3 P32745 2/20 0.44
F10 P00742 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EZH2 Q15910 2/20 0.44
GRM5 P41594 1/20 0.42
CNR2 P34972 1/20 0.42
PLK1 P53350 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42

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
SCHEMBL6309407 0.92 PGR (0.49) NAAAMMP2MMP7MMP9MMP13
SCHEMBL6303511 0.90 HPGD (0.46) NAAAGAAMMP2MMP7MMP9
SCHEMBL6311929 0.90 MMP2 (0.55) CA1CA2MMP2MMP7MMP9
SCHEMBL6304749 0.90 CHRNA7 (0.43) GAACA1CA2SSTR3F10
SCHEMBL6305808 0.89 MMP2 (0.45) NAAAMMP2MMP7MMP9MMP13
SCHEMBL6303416 0.89 EZH2 (0.57) GAAMMP2MMP7MMP9MMP13
SCHEMBL6304573 0.88 MMP2 (0.47) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6305759 0.88 PARP10 (0.46) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6311541 0.88 MMP13 (0.44) NAAAMMP2MMP7MMP9MMP13
SCHEMBL6303454 0.88 MMP2 (0.44) MMP2MMP7MMP9MMP13SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 NAAA 2942/4885GAA 33/4885CA1 4304/4885

“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.