SCHEMBL4765636

SCHEMBL4765636

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccon1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
HRH1 P35367 1/20 0.45
CYP2D6 P10635 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.43
MLNR O43193 1/20 0.41
PKM P14618 1/20 0.41
STAT1 P42224 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AXL P30530 1/20 0.40

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
SCHEMBL4765487 0.84 HRH3 (0.50) HRH3HRH1CYP2D6RAB9ANPC1
SCHEMBL4770392 0.84 HRH3 (0.59) HRH3HRH1CYP2D6RAB9ANPC1
SCHEMBL5823896 0.81 HRH3 (0.54) HRH3HRH1RAB9ANPC1TP53
SCHEMBL4772566 0.80 RAB9A (0.57) HRH3HRH1RAB9ANPC1TP53
SCHEMBL4767955 0.80 HRH3 (0.50) HRH3CYP2D6RAB9ANPC1TP53
SCHEMBL4767427 0.80 HRH3 (0.50) HRH3HRH1RAB9ANPC1TP53
SCHEMBL4772665 0.80 HRH3 (0.52) HRH3HRH1RAB9ANPC1TP53
SCHEMBL4771503 0.80 HRH3 (0.56) HRH3HRH1RAB9ANPC1TP53
SCHEMBL4765192 0.80 HRH3 (0.50) HRH3HRH1RAB9ANPC1TP53
SCHEMBL4770989 0.80 SMN1; SMN2 (0.71) HRH3HRH1RAB9ANPC1TP53

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 HRH3 1/4885HRH1 3/4885CYP2D6 1672/4885

“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.