SCHEMBL7124039

SCHEMBL7124039

O=CNc1cccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
PLAU P00749 1/20 0.33
GRM5 P41594 2/20 0.32
SSTR3 P32745 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL7117166 0.92 HTR3A (0.33) TRPV1GRM5SSTR3CHRNB4CHRNA3
SCHEMBL7124895 0.88 PLAU (0.36) CHRNA7TRPV1PLAUKDM4EALDH1A1
SCHEMBL7116447 0.86 PLAU (0.39) TRPV1PLAUKDM4EALDH1A1CYP1A2
SCHEMBL6101522 0.84 GRM5 (0.38) GRM5
SCHEMBL7120701 0.84 SMYD3 (0.38) CHRNA7GRM5SSTR3CHRNB4CHRNA3
SCHEMBL7124887 0.83 GRM5 (0.37) CHRNA7PLAUGRM5
SCHEMBL7122443 0.83 KDM2B (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL7126600 0.83 GRM5 (0.39) CHRNA7GRM5
SCHEMBL7114386 0.83 SLC6A3 (0.38) CHRNA7GRM5SSTR3CHRNB4CHRNA3
SCHEMBL7123321 0.83 GRM5 (0.37) CHRNA7TRPV1GRM5SSTR3CHRNB4

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 397/4885TRPV1 4850/4885PLAU 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.