SCHEMBL7115015

SCHEMBL7115015

NS(=O)(=O)c1ccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.42
CA1 P00915 9/20 0.42
CA9 Q16790 5/20 0.42
CHRNA7 P36544 1/20 0.40
MAOA P21397 4/20 0.39
MAOB P27338 2/20 0.38
CCR2 P41597 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL7120751 0.90 CHRNA7 (0.41) CA2CA1CA9CHRNA7CCR2
SCHEMBL7117924 0.87 CA1 (0.43) CA2CA1CA9MAOAMAOB
SCHEMBL7125201 0.86 DDB1 (0.43) CHRNA7CHRNB2CHRNA4
SCHEMBL7124390 0.86 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4
SCHEMBL7127524 0.85 CHRNA7 (0.55) CHRNA7
SCHEMBL7124385 0.85 CHRNA7 (0.44) CHRNA7
SCHEMBL7123419 0.84 CHRNA7 (0.39) CA2CA1CA9CHRNA7CA12
SCHEMBL7123508 0.84 TRPV1 (0.44) CHRNA7
SCHEMBL7116048 0.84 HPGD (0.46) CHRNA7
SCHEMBL7230208 0.83 CHRNB2 (0.34) CA2CA1CA9MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 CA2 3875/4885CA1 4282/4885CA9 2188/4885

“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.