SCHEMBL4768077

SCHEMBL4768077

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
NFKB1 P19838 4/20 0.60
NFKB2 Q00653 4/20 0.60
RELA Q04206 4/20 0.60
MAPT P10636 4/20 0.60
PKM P14618 3/20 0.60
TP53 P04637 4/20 0.58
MAOB P27338 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.51
HTR2C P28335 1/20 0.51
USP2 O75604 2/20 0.50
ROCK2 O75116 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL4765348 0.96 MEN1 (0.59) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4767933 0.86 RAB9A (0.52) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL4765246 0.86 NAMPT (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4765163 0.86 HTR2C (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4768150 0.86 MAPT (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4765204 0.84 HRH3 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4768332 0.84 NAMPT (0.61) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL4765114 0.83 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4768250 0.83 HRH3 (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL4771050 0.81 CYP3A4 (0.56) NPC1RAB9ASMN1; SMN2MAPTTP53

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 2307/4885SMN1; SMN2 2487/4885

“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.