SCHEMBL6413546

SCHEMBL6413546

N#Cc1ccc2ccc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cn12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.58
CTSB P07858 3/20 0.38
CTSK P43235 3/20 0.38
CTSS P25774 1/20 0.38
CTSC P53634 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSL P07711 2/20 0.37
USP30 Q70CQ3 4/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 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
SCHEMBL6413037 1.00 CHRNA7 (0.58) CHRNA7CTSBCTSKCTSSCTSC
SCHEMBL6413541 1.00 CHRNA7 (0.58) CHRNA7CTSBCTSKCTSSCTSC
SCHEMBL6411184 0.89 CHRNA7 (0.58) CHRNA7CTSBCTSKCTSSCTSC
SCHEMBL6413978 0.89 CHRNA7 (0.58) CHRNA7CTSBCTSKCTSSCTSC
SCHEMBL6413971 0.89 CHRNA7 (0.58) CHRNA7CTSBCTSKCTSSCTSC
SCHEMBL6418529 0.85 CHRNA7 (0.53) CHRNA7CTSBCTSKCTSSCTSC
SCHEMBL6411810 0.85 CHRNA7 (0.53) CHRNA7CTSBCTSKCTSSCTSC
SCHEMBL6418532 0.85 CHRNA7 (0.53) CHRNA7CTSBCTSKCTSSCTSC
SCHEMBL6411832 0.83 CHRNA7 (0.52) CHRNA7USP30
SCHEMBL6412754 0.83 CHRNA7 (0.52) CHRNA7USP30

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 CHRNA7 1475/4885CTSB 1436/4885CTSK 2120/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885CTSB 1247/4885CTSK 1452/4885

“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.