SCHEMBL6418512

SCHEMBL6418512

N#Cc1ccc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)ncn12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
CHRNA7 P36544 1/20 0.34
GRM5 P41594 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
USP30 Q70CQ3 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL6415368 0.90 CHRNA7 (0.34) KDM1ACHRNA7
SCHEMBL6411850 0.85 CHRNA7 (0.35) KDM1ACHRNA7
SCHEMBL6416553 0.85 CHRNA7 (0.35) KDM1ACHRNA7GRM5CHRNB2CHRNA4
SCHEMBL6411188 0.85 CHRNA7 (0.35) CHRNA7GRM5CHRNB2CHRNA4
SCHEMBL6419861 0.84 KDM1A (0.36) KDM1ACHRNB2CHRNA4USP30IRAK4
SCHEMBL6486251 0.82 IRAK4 (0.37) CHRNA7USP30IRAK4
SCHEMBL6414601 0.82 CHRNA7 (0.34) CHRNA7IRAK4
SCHEMBL6410434 0.82 KDM1A (0.35) KDM1ACHRNA7GRM5CHRNB2CHRNA4
SCHEMBL6417928 0.80 CHRNA7 (0.36) KDM1ACHRNA7GRM5CHRNB2CHRNA4
SCHEMBL6413942 0.79 EPHX2 (0.37) KDM1ACHRNA7CHRNB2CHRNA4USP30

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 2137/4885CHRNA7 1475/4885GRM5 680/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 KDM1A 1720/4885CHRNA7 1/4885GRM5 74/4885

“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.