SCHEMBL1789710

SCHEMBL1789710

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc(F)nc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.52
PRKAA2 P54646 2/20 0.49
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
CXCR3 P49682 3/20 0.44
MAPK14 Q16539 1/20 0.44
HRH1 P35367 1/20 0.44
NAMPT P43490 1/20 0.42

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
SCHEMBL12608480 0.88 HRH3 (0.55) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1787453 0.88 HRH3 (0.50) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1791042 0.87 HRH3 (0.52) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1789791 0.87 LMNA (0.53) HRH3MAPK14
SCHEMBL1792187 0.87 PRKAB2 (0.63) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1791917 0.87 HRH3 (0.53) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1788522 0.87 PRKAB2 (0.66) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1790863 0.87 PRKAB2 (0.56) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1791939 0.87 HRH3 (0.60) HRH3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1789761 0.86 HRH3 (0.45) HRH3PRKAA2PRKAB2PRKAG1PRKAA1

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 2/4885PRKAA2 4617/4885PRKAB2 4723/4885

“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.