SCHEMBL6417945

SCHEMBL6417945

N#Cc1cn2ccc(C(=O)NC3CC4CC3CN4)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
USP30 Q70CQ3 2/20 0.32
EPHX2 P34913 1/20 0.32
CHRM4 P08173 2/20 0.32
CHRNA7 P36544 2/20 0.31
NAMPT P43490 1/20 0.31
ROCK2 O75116 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM5 P41594 2/20 0.31
BRD4 O60885 1/20 0.30
DPP4 P27487 1/20 0.30
HTR3A P46098 1/20 0.30
TP53 P04637 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
SCHEMBL6412767 0.90 NPC1 (0.35) NPC1RAB9ACHRM4CHRNA7KDM4E
SCHEMBL6414532 0.86 HPGDS (0.38) NPC1RAB9AIRAK4USP30EPHX2
SCHEMBL6415275 0.85 NPC1 (0.40) NPC1RAB9ACHRNA7KDM4ESMN1; SMN2
SCHEMBL6417451 0.85 NPC1 (0.38) NPC1RAB9AUSP30CHRM4CHRNA7
SCHEMBL6415941 0.85 NPC1 (0.36) NPC1RAB9ACHRM4CHRNA7KDM4E
SCHEMBL6410953 0.82 NPC1 (0.33) NPC1RAB9AUSP30GRM5DPP4
SCHEMBL6411631 0.82 KDM1A (0.37) NPC1RAB9AIRAK4USP30EPHX2
SCHEMBL6415961 0.80 NAMPT (0.45) CHRNA7NAMPTHTR3A
SCHEMBL6416512 0.80 CHRNA7 (0.39) NPC1RAB9AIRAK4EPHX2CHRNA7
SCHEMBL6413514 0.80 EPHX2 (0.34) IRAK4EPHX2CHRNA7GRM5DPP4

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 NPC1 142/4885RAB9A 2031/4885IRAK4 2148/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 NPC1 221/4885RAB9A 871/4885IRAK4 1829/4885

“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.