SCHEMBL1789577

SCHEMBL1789577

O=C(O)c1ccc(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.51
KDM2B Q8NHM5 2/20 0.48
NR1H4 Q96RI1 6/20 0.48
EPHX2 P34913 4/20 0.48
MAPK14 Q16539 1/20 0.46
CNR2 P34972 1/20 0.46
CYP2D6 P10635 1/20 0.45

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
SCHEMBL1788806 0.92 HRH3 (0.54) HRH3KDM2BMAPK14CYP2D6
SCHEMBL1787758 0.90 HRH3 (0.53) HRH3KDM2B
SCHEMBL12608452 0.90 MAPT (0.53) HRH3KDM2B
SCHEMBL1789634 0.90 HRH3 (0.57) HRH3MAPK14CYP2D6
SCHEMBL1789723 0.89 HRH3 (0.66) HRH3KDM2BNR1H4EPHX2MAPK14
SCHEMBL1786902 0.88 HRH3 (0.53) HRH3KDM2BMAPK14
SCHEMBL1791891 0.88 HRH3 (0.50) HRH3KDM2B
SCHEMBL1787454 0.87 HRH3 (0.58) HRH3
SCHEMBL1790574 0.87 HRH3 (0.50) HRH3KDM2BMAPK14
SCHEMBL1789917 0.86 ALDH1A1 (0.48) HRH3

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
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885KDM2B 1549/4885NR1H4 184/4885

“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.