SCHEMBL6418898

SCHEMBL6418898

N#Cc1cc2ccc(C(=O)NC3CC4CC3CN4)cn2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
CHRNA7 P36544 4/20 0.38
DPP4 P27487 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 2/20 0.33
BRD4 O60885 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
TNF P01375 1/20 0.32
CHRM3 P20309 1/20 0.32
USP30 Q70CQ3 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6419159 0.90 CHRNA7 (0.38) EPHX2IRAK4CHRNA7
SCHEMBL6416512 0.87 CHRNA7 (0.39) EPHX2IRAK4CHRNA7DPP4NPC1
SCHEMBL6415882 0.84 CHRNA7 (0.40) IRAK4CHRNA7
SCHEMBL6413063 0.84 CHRNA7 (0.41) CHRNA7
SCHEMBL6418263 0.84 CHRNA7 (0.49) IRAK4CHRNA7
SCHEMBL6414371 0.82 IRAK4 (0.40) IRAK4TNF
SCHEMBL6419175 0.81 EPHX2 (0.40) EPHX2CHRNA7DPP4NPC1RAB9A
SCHEMBL6412352 0.81 EPHX2 (0.38) EPHX2IRAK4CHRNA7DPP4NPC1
SCHEMBL6417110 0.81 CHRNA7 (0.44) CHRNA7RAB9AALDH1A1
SCHEMBL6413558 0.81 EPHX2 (0.37) EPHX2IRAK4CHRNA7DPP4NPC1

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 4 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
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 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.