SCHEMBL4768623

SCHEMBL4768623

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
MCHR1 Q99705 6/20 0.55
HRH3 Q9Y5N1 2/20 0.53
CREBBP Q92793 1/20 0.53
TMPRSS2 O15393 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SLC2A1 P11166 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
DEGS1 O15121 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
SCHEMBL4770268 0.89 CREBBP (0.55) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4771974 0.89 CREBBP (0.58) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4774646 0.88 HRH3 (0.67) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4767467 0.87 HRH3 (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4768282 0.87 CREBBP (0.58) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4770439 0.87 HRH3 (0.52) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4768058 0.86 NPC1 (0.69) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4765905 0.86 NPC1 (0.69) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4765225 0.86 HRH3 (0.55) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL1787983 0.86 HRH3 (0.55) RAB9ANPC1NFKB1NFKB2RELA

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 RAB9A 2307/4885NPC1 2009/4885NFKB1 3171/4885

“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.