SCHEMBL6306752

SCHEMBL6306752

COc1cccc(Sc2ccc(C(=O)NC3CN4CCC3CC4C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.53
MGLL Q99685 2/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
LMNA P02545 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ALOX15 P16050 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL6303453 0.90 CHRNA7 (0.53) CHRNA7ALDH1A1TSHRCHRNB2CHRNA4
SCHEMBL6305741 0.88 CHRNA7 (0.55) CHRNA7MGLLTSHRHTR3EHTR3B
SCHEMBL6303422 0.87 CHRNA7 (0.68) CHRNA7ALDH1A1TSHRHTR3EHTR3B
SCHEMBL6310789 0.87 CHRNA7 (0.54) CHRNA7MGLLTSHRLMNAHTR3E
SCHEMBL6310439 0.87 CHRNA7 (0.54) CHRNA7MGLLALDH1A1TSHRHTR3E
SCHEMBL6303392 0.87 CHRNA7 (0.54) CHRNA7TSHRHTR3EHTR3BALOX15
SCHEMBL6310482 0.86 CHRNA7 (0.53) CHRNA7MGLLALDH1A1TSHRLMNA
SCHEMBL6305694 0.86 PGR (0.47) CHRNA7MTNR1AMTNR1BALDH1A1TSHR
SCHEMBL373490 0.85 CHRNA7 (0.72) CHRNA7MGLLTSHRHTR3EHTR3B
SCHEMBL6305831 0.85 CHRNA7 (0.53) CHRNA7TSHRHSD17B10HTR3EHTR3B

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 2937/4885MGLL 3254/4885MTNR1A 138/4885

“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.