SCHEMBL6413558

SCHEMBL6413558

N#Cc1ccc2ccc(C(=O)NC3CC4CC3CN4)cn12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.34
CHRNA7 P36544 10/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
USP30 Q70CQ3 2/20 0.32
DPP4 P27487 2/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL6417006 0.89 CHRNA7 (0.33) EPHX2IRAK4CHRNA7CHRNB2CHRNB4
SCHEMBL6413473 0.85 IRAK4 (0.35) EPHX2IRAK4CHRNA7CHRNB2CHRNB4
SCHEMBL6413617 0.83 IRAK4 (0.37) IRAK4USP30
SCHEMBL6413947 0.83 CHRNA7 (0.46) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6412133 0.83 CHRNA7 (0.46) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6418596 0.83 CHRNA7 (0.46) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6418898 0.81 EPHX2 (0.40) EPHX2IRAK4CHRNA7USP30DPP4
SCHEMBL6413924 0.80 EPHX2 (0.34) EPHX2USP30DPP4NPC1RAB9A
SCHEMBL6413942 0.80 EPHX2 (0.37) EPHX2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6486251 0.79 IRAK4 (0.37) IRAK4CHRNA7USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 EPHX2 551/4885IRAK4 2148/4885CHRNA7 1475/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 EPHX2 367/4885IRAK4 1829/4885CHRNA7 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.