SCHEMBL1789175

SCHEMBL1789175

Cc1noc(C)c1C(=O)NCc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
HRH3 Q9Y5N1 9/20 0.46
TSHR P16473 3/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.42
HRH1 P35367 1/20 0.41
F10 P00742 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
SCHEMBL1792347 0.84 HRH3 (0.56) HRH3TSHRCYP2D6HRH1
SCHEMBL1790154 0.84 HRH3 (0.46) HRH3USP2CYP2D6HRH1
SCHEMBL4767955 0.83 HRH3 (0.50) GAAHRH3HSD17B10CYP2D6SMN1; SMN2
SCHEMBL1788167 0.83 HRH3 (0.44) HRH3CYP2D6HRH1
SCHEMBL1790048 0.81 HRH3 (0.51) HRH3CYP2D6
SCHEMBL1789743 0.81 HRH3 (0.44) HRH3CYP2D6HRH1
SCHEMBL1788444 0.80 ACE2 (0.51) HRH3CYP2D6HRH1
SCHEMBL1788050 0.79 HRH3 (0.52) HRH3HRH1
SCHEMBL7949359 0.79 HRH3 (0.50) HRH3CYP2D6HRH1
SCHEMBL1788203 0.79 HRH3 (0.47) GAAHRH3SMN1; SMN2HRH1

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 GAA 4339/4885HRH3 2/4885TSHR 617/4885

“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.