SCHEMBL6419175

SCHEMBL6419175

N#Cc1cc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cn2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNA7 P36544 2/20 0.38
KDM1A O60341 2/20 0.36
EGLN1 Q9GZT9 6/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 2/20 0.33
GRM5 P41594 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL6414799 0.90 SLC6A2 (0.39) EPHX2CHRNA7KDM1A
SCHEMBL6417844 0.87 CHRNA7 (0.39) EPHX2NPC1RAB9ACHRNA7KDM1A
SCHEMBL6418498 0.84 CHRNA7 (0.40) CHRNA7KDM1A
SCHEMBL6412749 0.84 CHRNA7 (0.49) CHRNA7KDM1A
SCHEMBL6411721 0.84 CHRNA7 (0.41) CHRNA7GRM5CHRNB2CHRNA4
SCHEMBL6417453 0.82 KDM1A (0.36) KDM1AEGLN1GRM5CHRNB2CHRNA4
SCHEMBL6418898 0.81 EPHX2 (0.40) EPHX2NPC1RAB9ACHRNA7KDM1A
SCHEMBL6412352 0.81 EPHX2 (0.38) EPHX2NPC1RAB9ACHRNA7KDM1A
SCHEMBL6413942 0.81 EPHX2 (0.37) EPHX2NPC1RAB9ACHRNA7KDM1A
SCHEMBL7155445 0.81 NPC1 (0.39) EPHX2NPC1RAB9ACHRNA7EGLN1

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 7 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
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 551/4885NPC1 142/4885RAB9A 2031/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 EPHX2 367/4885NPC1 221/4885RAB9A 871/4885

“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.