SCHEMBL4771050

SCHEMBL4771050

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
HRH3 Q9Y5N1 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
SHMT2 P34897 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 1/20 0.47
TP53 P04637 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL4767666 0.99 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C19HRH3NPC1
SCHEMBL4767933 0.93 RAB9A (0.52) CYP3A4CYP2D6CYP2C19HRH3NPC1
SCHEMBL4765431 0.90 HRH3 (0.58) CYP3A4CYP2D6CYP2C19HRH3NPC1
SCHEMBL4768332 0.88 NAMPT (0.61) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4765114 0.87 RAB9A (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4772344 0.86 MAPT (0.58) CYP3A4CYP2C19HRH3MEN1KMT2A
SCHEMBL4767921 0.86 NPC1 (0.56) CYP3A4CYP2D6CYP2C19HRH3NPC1
SCHEMBL5459684 0.85 HRH3 (0.53) CYP3A4CYP2D6CYP2C19HRH3NPC1
SCHEMBL4765645 0.85 NPC1 (0.53) CYP3A4CYP2D6CYP2C19HRH3NPC1
SCHEMBL4765684 0.85 NAMPT (0.47) CYP3A4CYP2D6CYP2C19HRH3NPC1

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 CYP3A4 1447/4885CYP2D6 1672/4885CYP2C19 1591/4885

“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.