SCHEMBL7121745

SCHEMBL7121745

NC(=O)c1ccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
PLAU P00749 4/20 0.39
LCK P06239 1/20 0.39
SMYD3 Q9H7B4 2/20 0.38
CHRNA7 P36544 1/20 0.37
SSTR3 P32745 1/20 0.36
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
DRD4 P21917 1/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34

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
SCHEMBL7119257 0.89 SMYD3 (0.51) CHRNB2CHRNA4SMYD3CHRNA7SSTR3
SCHEMBL6098344 0.88 CHRNB4 (0.39) SMYD3CHRNA7SSTR3DRD4SLC6A12
SCHEMBL6100330 0.88 SSTR3 (0.47) SSTR3DRD4SLC6A12SLC6A13
SCHEMBL7121774 0.87 CHRNA7 (0.36) SMYD3CHRNA7SSTR3DRD4SLC6A12
SCHEMBL7119235 0.87 CYP2A6 (0.43) CHRNA7DRD4
SCHEMBL6102157 0.87 F10 (0.45) CHRNA7SSTR3DRD4
SCHEMBL7121130 0.87 SLC6A3 (0.40) SMYD3CHRNA7SSTR3
SCHEMBL7124032 0.87 SSTR3 (0.45) CHRNA7SSTR3
SCHEMBL7125111 0.87 DRD4 (0.40) SMYD3CHRNA7SSTR3DRD4
Hydrochloric Acid SCHEMBL7126791 0.86 SSTR3 (0.46) SSTR3DRD4SLC6A12SLC6A13

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 CHRNB2 899/4885CHRNA4 786/4885PLAU 4650/4885

“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.