SCHEMBL1790797

SCHEMBL1790797

CN(Cc1ccc2c(c1)CCN(C1CCC1)CC2)C(=O)c1cnc(N2CCCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.55
AOC3 Q16853 5/20 0.44
HRH1 P35367 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL12418545 0.90 HRH3 (0.51) HRH3AOC3HRH1MAPTMAPK1
SCHEMBL12418544 0.90 HRH3 (0.51) HRH3AOC3HRH1MAPTMAPK1
SCHEMBL2188621 0.88 HRH3 (0.51) HRH3AOC3HRH1MAPTMAPK1
SCHEMBL2194239 0.88 HRH3 (0.51) HRH3AOC3HRH1MAPTMAPK1
SCHEMBL2270809 0.83 HRH3 (0.58) HRH3HRH1MAPTMAPK1
SCHEMBL1788619 0.82 HRH3 (0.48) HRH3HRH1
SCHEMBL1787581 0.80 HRH3 (0.48) HRH3HRH1CYP2D6
SCHEMBL2264905 0.79 HRH3 (0.49) HRH3HRH1CYP2D6
SCHEMBL2269118 0.77 HRH3 (0.50) HRH3HRH1CYP2D6
SCHEMBL2264778 0.76 HRH3 (0.44) HRH3AOC3HRH1CYP2D6

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 5 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

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 2/4885AOC3 18/4885HRH1 4/4885

“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.