SCHEMBL6310757

SCHEMBL6310757

COc1csc(Oc2ccc(C(=O)NC3CC4CCN(CC4)C3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.48
NAAA Q02083 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
GRM5 P41594 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
USP30 Q70CQ3 2/20 0.39
CCR3 P51677 1/20 0.39
KDM5A P29375 1/20 0.39

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
SCHEMBL6629598 0.95 CHRNA7 (0.55) CHRNA7NAAAKMT2AMEN1GRM5
SCHEMBL6310510 0.95 CHRNA7 (0.55) CHRNA7NAAAKMT2AMEN1GRM5
SCHEMBL6310504 0.95 CHRNA7 (0.55) CHRNA7NAAAKMT2AMEN1GRM5
SCHEMBL6303294 0.90 CHRNA7 (0.50) CHRNA7KMT2AMEN1L3MBTL1USP30
SCHEMBL6305443 0.87 CHRNA7 (0.57) CHRNA7KMT2AMEN1GRM5USP30
SCHEMBL6303201 0.86 CHRNA7 (0.57) CHRNA7NAAAKMT2AMEN1GRM5
SCHEMBL7701612 0.85 CHRNA7 (0.54) CHRNA7KMT2AMEN1
SCHEMBL6878456 0.85 CHRNA7 (0.54) CHRNA7KMT2AMEN1
SCHEMBL6631814 0.85 CHRNA7 (0.57) CHRNA7KMT2AMEN1L3MBTL1USP30
SCHEMBL6305841 0.85 CHRNA7 (0.57) CHRNA7KMT2AMEN1L3MBTL1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US claimed
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 CHRNA7 2937/4885NAAA 2942/4885KMT2A 3908/4885

“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.