SCHEMBL4772484

SCHEMBL4772484

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cnn(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
HRH3 Q9Y5N1 8/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 2/20 0.43
HTT P42858 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
GAA P10253 1/20 0.43
HRH1 P35367 1/20 0.43
ADAMTS7 Q9UKP4 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL4772665 0.85 HRH3 (0.52) NPC1RAB9AHRH3TP53SMN1; SMN2
SCHEMBL4777120 0.82 NPY5R (0.54) NPC1RAB9AHRH3TP53SMN1; SMN2
SCHEMBL4768161 0.82 POLB (0.56) NPC1RAB9AHRH3TP53SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4764951 0.81 HRH3 (0.47) NPC1RAB9AHRH3TP53SMN1; SMN2
SCHEMBL5823896 0.81 HRH3 (0.54) NPC1RAB9AHRH3TP53SMN1; SMN2
SCHEMBL4770820 0.80 POLB (0.56) NPC1RAB9AHRH3TP53SMN1; SMN2
SCHEMBL4772566 0.80 RAB9A (0.57) NPC1RAB9AHRH3TP53SMN1; SMN2
SCHEMBL4765564 0.80 HRH3 (0.46) NPC1RAB9AHRH3TP53SMN1; SMN2
SCHEMBL4768152 0.79 POLB (0.55) NPC1RAB9AHRH3TP53SMN1; SMN2
SCHEMBL4774462 0.79 RAB9A (0.59) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 2307/4885HRH3 1/4885

“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.