SCHEMBL7126632

SCHEMBL7126632

NC(=O)c1cccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA7 P36544 3/20 0.34
GRM5 P41594 2/20 0.33
PTPN1 P18031 1/20 0.33
SSTR3 P32745 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
RPS6KA2 Q15349 1/20 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
SCHEMBL7115066 0.92 PTPN1 (0.40) PLAUKDM4EALDH1A1GAACHRNB2
SCHEMBL7120785 0.87 PLAU (0.42) PLAUKDM4EALDH1A1CHRNA7GRM5
SCHEMBL7114386 0.87 SLC6A3 (0.38) CHRNA7GRM5SSTR3SMYD3CHRNB4
SCHEMBL7120701 0.86 SMYD3 (0.38) CHRNA7GRM5SSTR3SMYD3CHRNB4
SCHEMBL7126600 0.85 GRM5 (0.39) CHRNA7GRM5
SCHEMBL7123321 0.85 GRM5 (0.37) CHRNA7GRM5SSTR3CHRNB4CHRNA3
SCHEMBL7122443 0.85 KDM2B (0.41)
SCHEMBL6100290 0.85 SSTR3 (0.40) GRM5SSTR3
SCHEMBL7124887 0.85 GRM5 (0.37) PLAUCHRNA7GRM5
SCHEMBL7124895 0.83 PLAU (0.36) PLAUKDM4EALDH1A1CHRNA7

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 PLAU 4650/4885KDM4E 392/4885ALDH1A1 870/4885

“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.