SCHEMBL6413650

SCHEMBL6413650

C#Cc1ccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cn12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRNA7 P36544 8/20 0.32
HTR3A P46098 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
KDM1A O60341 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30

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
SCHEMBL6413942 0.89 EPHX2 (0.37) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6412369 0.85 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CHRNA7HTR3A
SCHEMBL6410500 0.83 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL6416481 0.83 CHRNA7 (0.43) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6414036 0.83 CHRNA7 (0.43) SLC6A2SLC6A4SLC6A3CHRNA7HTR3A
SCHEMBL6417079 0.83 CHRNA7 (0.43) SLC6A4SLC6A3CHRNA7HTR3ACHRNB2
SCHEMBL6414799 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CHRNA7KDM1A
SCHEMBL6411824 0.80 CHRNA7 (0.30) CHRNA7
SCHEMBL6417006 0.80 CHRNA7 (0.33) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6415368 0.79 CHRNA7 (0.34) SLC6A2SLC6A4SLC6A3CHRNA7KDM1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US claimed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 US disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 (2 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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY SLC6A2 3428/4885SLC6A4 3294/4885SLC6A3 3803/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 SLC6A2 1831/4885SLC6A4 2118/4885SLC6A3 2347/4885

“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.