SCHEMBL4765227

SCHEMBL4765227

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc(-c2ccncn2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.47
CREBBP Q92793 2/20 0.46
NPC1 O15118 2/20 0.44
NFKB1 P19838 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
ROCK1 Q13464 2/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
MCHR1 Q99705 1/20 0.42
MLLT1 Q03111 1/20 0.42

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
SCHEMBL4765986 0.91 MLLT1 (0.50) ROCK2CREBBPNPC1NFKB1HTT
SCHEMBL4767935 0.88 ABL1 (0.50) ROCK2CREBBPNPC1NFKB1HTT
SCHEMBL4764960 0.86 ROCK2 (0.50) ROCK2CREBBPNPC1NFKB1HTT
SCHEMBL4768282 0.82 CREBBP (0.58) CREBBPNPC1NFKB1HTTRAB9A
SCHEMBL4768020 0.82 SLC2A1 (0.53) CREBBPNPC1NFKB1HTTRAB9A
SCHEMBL4768415 0.82 HRH3 (0.49) ROCK2CREBBPNPC1HTTRAB9A
SCHEMBL4767429 0.81 RAB9A (0.55) NPC1NFKB1HTTRAB9ANFKB2
SCHEMBL4770268 0.81 CREBBP (0.55) ROCK2CREBBPNPC1NFKB1HTT
SCHEMBL4770439 0.80 HRH3 (0.52) NPC1NFKB1HTTRAB9ANFKB2
SCHEMBL4772436 0.80 HRH3 (0.52) ROCK2CREBBPNPC1NFKB1HTT

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 ROCK2 3702/4885CREBBP 637/4885NPC1 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.