SCHEMBL4770368

SCHEMBL4770368

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc(-n2ccnc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.52
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
HRH1 P35367 2/20 0.46
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ROCK2 O75116 2/20 0.44

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
SCHEMBL4765500 0.88 ROCK2 (0.56) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4773998 0.85 ROCK2 (0.48) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4765396 0.84 HRH3 (0.51) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4765200 0.84 HRH3 (0.61) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4770989 0.81 SMN1; SMN2 (0.71) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4765521 0.81 HRH3 (0.57) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4765298 0.80 NPC1 (0.55) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4772566 0.80 RAB9A (0.57) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4766064 0.80 HRH3 (0.54) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4774177 0.79 HRH3 (0.69) HRH3NPC1TP53RAB9ASMN1; SMN2

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 1/4885NPC1 2009/4885TP53 4863/4885

“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.