SCHEMBL7120785

SCHEMBL7120785

Nc1cccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
PRSS1 P07477 1/20 0.42
SMYD3 Q9H7B4 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TDP2 O95551 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM5 P41594 3/20 0.35

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
SCHEMBL6101324 0.91 CYP2C9 (0.37) SMYD3GRM5CHRNA7CHRNB4CHRNA3
SCHEMBL7120701 0.88 SMYD3 (0.38) SMYD3GRM5CHRNA7CHRNB4CHRNA3
SCHEMBL7126632 0.87 PLAU (0.43) PLAUSMYD3KDM4EALDH1A1GRM5
SCHEMBL6100290 0.87 SSTR3 (0.40) L3MBTL1GRM5
SCHEMBL7114386 0.87 SLC6A3 (0.38) SMYD3GRM5CHRNA7CHRNB4CHRNA3
SCHEMBL7126600 0.87 GRM5 (0.39) GRM5CHRNA7
SCHEMBL7122443 0.87 KDM2B (0.41)
SCHEMBL7123321 0.87 GRM5 (0.37) GRM5CHRNA7CHRNB4CHRNA3
SCHEMBL7124887 0.87 GRM5 (0.37) PLAUGRM5CHRNA7
SCHEMBL7124895 0.85 PLAU (0.36) PLAUKDM4EALDH1A1MAPTCHRNA7

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 4650/4885F2 4147/4885PLG 4855/4885

“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.