SCHEMBL1789976

SCHEMBL1789976

Cn1ccc2cc(CNC(=O)c3ccc4c(c3)CCN(C3CCC3)CC4)ccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.53
HRH3 Q9Y5N1 7/20 0.48
CYP2D6 P10635 1/20 0.47
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
MAPK14 Q16539 1/20 0.42
KDM2B Q8NHM5 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
SCHEMBL1793883 0.93 HRH3 (0.48) CHRNA7HRH3CYP2D6EPHX2PPARG
SCHEMBL12608452 0.82 MAPT (0.53) HRH3KDM2B
SCHEMBL1791545 0.81 HRH3 (0.48) HRH3KDM2B
SCHEMBL1789977 0.81 CHRNA7 (0.53) CHRNA7EPHX2PPARGMAPK14
SCHEMBL1789723 0.81 HRH3 (0.66) HRH3EPHX2MAPK14KDM2B
SCHEMBL1789577 0.81 HRH3 (0.51) HRH3CYP2D6EPHX2MAPK14KDM2B
SCHEMBL1786902 0.81 HRH3 (0.53) HRH3MAPK14KDM2B
SCHEMBL1789555 0.80 CCR3 (0.49) CHRNA7HRH3EPHX2PPARGMAPK14
SCHEMBL1787758 0.80 HRH3 (0.53) HRH3KDM2B
SCHEMBL1788806 0.80 HRH3 (0.54) HRH3CYP2D6MAPK14KDM2B

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 CHRNA7 42/4885HRH3 2/4885CYP2D6 359/4885

“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.