SCHEMBL1786902

SCHEMBL1786902

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
KDM2B Q8NHM5 2/20 0.46
MAPT P10636 2/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK14 Q16539 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL1787454 0.91 HRH3 (0.58) HRH3MAPT
SCHEMBL12608452 0.89 MAPT (0.53) HRH3KDM2BMAPT
SCHEMBL1789723 0.88 HRH3 (0.66) HRH3KDM2BMAPTMAPK14HRH1
SCHEMBL1789577 0.88 HRH3 (0.51) HRH3KDM2BMAPK14
SCHEMBL1787758 0.87 HRH3 (0.53) HRH3KDM2BMAPT
SCHEMBL1788806 0.87 HRH3 (0.54) HRH3KDM2BMAPTMAPK14
SCHEMBL1789885 0.85 HRH3 (0.62) HRH3KDM2BHRH1
SCHEMBL1791891 0.85 HRH3 (0.50) HRH3KDM2BMAPT
SCHEMBL1789634 0.85 HRH3 (0.57) HRH3MAPTMAPK14HRH1
SCHEMBL1790574 0.84 HRH3 (0.50) HRH3KDM2BMAPK14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP 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
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
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 1549/4885MAPT 3598/4885

“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.