SCHEMBL4765225

SCHEMBL4765225

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.55
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM2B Q8NHM5 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
MELK Q14680 1/20 0.46
LY96 Q9Y6Y9 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 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
SCHEMBL4765905 0.88 NPC1 (0.69) HRH3RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4768058 0.88 NPC1 (0.69) HRH3RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4772154 0.88 NPC1 (0.52) HRH3RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4768623 0.86 RAB9A (0.58) HRH3RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4768203 0.86 TRPV4 (0.59) HRH3RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4768020 0.86 SLC2A1 (0.53) HRH3RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4767142 0.85 DPP4 (0.53) HRH3RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4771074 0.85 HRH3 (0.64) HRH3RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4770268 0.84 CREBBP (0.55) HRH3RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL4770574 0.84 HRH3 (0.57) HRH3RAB9ANPC1SMN1; SMN2NFKB1

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 4 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
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US 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 1/4885RAB9A 2307/4885NPC1 2009/4885

“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.