SCHEMBL4765645

SCHEMBL4765645

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
NAMPT P43490 7/20 0.50
MCHR1 Q99705 1/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL4767921 0.90 NPC1 (0.56) NPC1RAB9AMAPTNAMPTMCHR1
SCHEMBL4765684 0.88 NAMPT (0.47) NPC1RAB9AMAPTNAMPTCYP3A4
SCHEMBL4772427 0.87 CCR2 (0.46) NPC1MAPTNAMPTCYP3A4CYP2D6
SCHEMBL4774355 0.85 HRH3 (0.57) NAMPTCYP2D6HRH3
SCHEMBL4771050 0.85 CYP3A4 (0.56) NPC1RAB9AMAPTNAMPTCYP3A4
SCHEMBL14440719 0.84 NAMPT (0.44) NPC1RAB9ANAMPTCYP3A4CYP2D6
SCHEMBL4767666 0.84 CYP3A4 (0.58) NPC1RAB9AMAPTNAMPTCYP3A4
SCHEMBL4767933 0.82 RAB9A (0.52) NPC1RAB9ANAMPTCYP3A4CYP2D6
SCHEMBL5458802 0.82 CA12 (0.56) NPC1RAB9AMAPTNAMPTKMT2A
SCHEMBL10247726 0.81 HRH3 (0.62) NAMPTCYP2D6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP 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 (1 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 NPC1 2009/4885RAB9A 2307/4885MAPT 405/4885

“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.