SCHEMBL7120751

SCHEMBL7120751

NS(=O)(=O)c1cccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
NPC1 O15118 1/20 0.38
EZH2 Q15910 1/20 0.37
CCR2 P41597 1/20 0.37
ANXA2 P07355 1/20 0.36
S100A10 P60903 1/20 0.36
CA2 P00918 9/20 0.36
CA1 P00915 7/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA9 Q16790 3/20 0.34
CA4 P22748 2/20 0.33
CTSK P43235 2/20 0.33
CTSC P53634 2/20 0.33

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
SCHEMBL7115015 0.90 CA2 (0.42) CHRNA7CCR2CA2CA1CA12
SCHEMBL7125274 0.86 CHRNA7 (0.43) CHRNA7EZH2CCR2
SCHEMBL7124028 0.85 CHRNA7 (0.43) CHRNA7EZH2CCR2
SCHEMBL7121781 0.85 CHRNA7 (0.44) CHRNA7EZH2
SCHEMBL7127524 0.84 CHRNA7 (0.55) CHRNA7NPC1EZH2
SCHEMBL7127459 0.84 CHRNA7 (0.43) CHRNA7NPC1EZH2
SCHEMBL7226786 0.83 HSD17B1 (0.35) NPC1CA2CA1CTSKCTSC
SCHEMBL7120639 0.83 CHRNA7 (0.43) CHRNA7EZH2CCR2
SCHEMBL7115057 0.83 HTT (0.44) CHRNA7EZH2
SCHEMBL7127363 0.82 MEN1 (0.44) NPC1EZH2CCR2CA2CA1

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 CHRNA7 397/4885NPC1 267/4885EZH2 462/4885

“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.