SCHEMBL6417844

SCHEMBL6417844

N#Cc1cc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)ccn2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.39
EPHX2 P34913 1/20 0.37
KDM1A O60341 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM5 P41594 2/20 0.33
EGLN1 Q9GZT9 4/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
PAX8 Q06710 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP4 P27487 1/20 0.31
CNR1 P21554 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
SCHEMBL6411398 0.90 CHRNA7 (0.39) CHRNA7KDM1A
SCHEMBL6419175 0.87 EPHX2 (0.40) CHRNA7EPHX2KDM1ANPC1RAB9A
SCHEMBL6412490 0.84 CHRNA7 (0.50) CHRNA7GRM5
SCHEMBL6418418 0.84 CHRNA7 (0.50) CHRNA7KDM1A
SCHEMBL6414942 0.84 CHRNA7 (0.41) CHRNA7KDM1ANPC1RAB9A
SCHEMBL6416512 0.82 CHRNA7 (0.39) CHRNA7EPHX2NPC1RAB9AGRM5
SCHEMBL6411983 0.82 CHRNA7 (0.37) CHRNA7EPHX2NPC1RAB9AGRM5
SCHEMBL6414838 0.82 CHRNA7 (0.43) CHRNA7GRM5
SCHEMBL6412614 0.81 KDM1A (0.39) CHRNA7EPHX2KDM1ANPC1RAB9A
SCHEMBL6417928 0.81 CHRNA7 (0.36) CHRNA7EPHX2KDM1AGRM5EGLN1

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 1475/4885EPHX2 551/4885KDM1A 2137/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885EPHX2 367/4885KDM1A 1720/4885

“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.