SCHEMBL4765246

SCHEMBL4765246

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCc2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
NOTUM Q6P988 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CNR2 P34972 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.42
ALOX5 P09917 1/20 0.42
EPHX2 P34913 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL4765163 0.88 HTR2C (0.54) HRH3NOTUMHTR2CHTR2BMAPT
SCHEMBL4768077 0.86 NPC1 (0.60) HRH3HTR2CMAPTTP53NPC1
SCHEMBL4765204 0.86 HRH3 (0.44) NAMPTHRH3MAPTTP53THRB
SCHEMBL4765348 0.82 MEN1 (0.59) MAPTTP53NPC1RAB9ANFKB1
SCHEMBL4768058 0.79 NPC1 (0.69) HRH3MAPTTP53NPC1RAB9A
SCHEMBL4771050 0.79 CYP3A4 (0.56) NAMPTHRH3MAPTTP53NPC1
SCHEMBL4765645 0.78 NPC1 (0.53) NAMPTHRH3MAPTTP53NPC1
SCHEMBL4774355 0.78 HRH3 (0.57) NAMPTHRH3
SCHEMBL4767666 0.78 CYP3A4 (0.58) NAMPTHRH3MAPTTHRBNPC1
SCHEMBL5459684 0.77 HRH3 (0.53) HRH3TP53NPC1RAB9ANFKB1

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 NAMPT 2325/4885HRH3 1/4885NOTUM 1232/4885

“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.