SCHEMBL6412352

SCHEMBL6412352

N#Cc1cc2ccc(C(=O)NC3CC4CNC3C4)cn2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CHRNA7 P36544 2/20 0.36
DPP4 P27487 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
KDM1A O60341 1/20 0.32
TNF P01375 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
GRM5 P41594 2/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL6413929 0.90 CHRNA7 (0.36) CHRNA7
SCHEMBL6411983 0.87 CHRNA7 (0.37) EPHX2CHRNA7DPP4NPC1RAB9A
SCHEMBL6417960 0.84 CHRNA7 (0.39) CHRNA7GRM5
SCHEMBL6411796 0.84 CHRNA7 (0.47) CHRNA7
SCHEMBL6412263 0.84 CHRNA7 (0.38) CHRNA7
SCHEMBL7155445 0.82 NPC1 (0.39) EPHX2CHRNA7DPP4NPC1RAB9A
SCHEMBL6418041 0.82 NAAA (0.32) EGLN1TNFIRAK4GRM5
SCHEMBL6419175 0.81 EPHX2 (0.40) EPHX2CHRNA7DPP4NPC1RAB9A
SCHEMBL6418898 0.81 EPHX2 (0.40) EPHX2CHRNA7DPP4NPC1RAB9A
SCHEMBL6413924 0.81 EPHX2 (0.34) EPHX2DPP4NPC1RAB9A

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 551/4885CHRNA7 1475/4885DPP4 2429/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 EPHX2 367/4885CHRNA7 1/4885DPP4 1382/4885

“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.