SCHEMBL6410434

SCHEMBL6410434

N#Cc1ccc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)ccn12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
EPHX2 P34913 1/20 0.33
CHRNA7 P36544 14/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GRM5 P41594 2/20 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
SCHEMBL6412369 0.90 SLC6A2 (0.34) KDM1ACHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6413942 0.85 EPHX2 (0.37) KDM1AEPHX2CHRNA7CHRNB2CHRNB4
SCHEMBL6411037 0.84 CHRNA7 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6415322 0.84 CHRNA7 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6412340 0.84 CHRNA7 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6418512 0.82 KDM1A (0.36) KDM1ACHRNA7CHRNB2CHRNA4GRM5
SCHEMBL6417808 0.81 EPHX2 (0.31) EPHX2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6413473 0.81 IRAK4 (0.35) EPHX2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6417844 0.80 CHRNA7 (0.39) KDM1AEPHX2CHRNA7CHRNB2CHRNA4
SCHEMBL6414838 0.78 CHRNA7 (0.43) CHRNA7CHRNB4CHRNA3HTR3AGRM5

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

“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.