SCHEMBL1789991

SCHEMBL1789991

CC(O)CN(C)c1ccc(C(=O)NCc2ccc3c(c2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.51
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
HRH1 P35367 1/20 0.40
MAPK14 Q16539 1/20 0.38
CXCR3 P49682 1/20 0.37
NAMPT P43490 2/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL1791368 1.00 HRH3 (0.51) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1789988 1.00 HRH3 (0.51) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2267296 0.91 HRH3 (0.51) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2266798 0.91 HRH3 (0.51) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1789947 0.89 HRH3 (0.52) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2268812 0.87 ADRA1A (0.51) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1792244 0.85 HRH3 (0.56) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1787223 0.84 HRH3 (0.53) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1790624 0.84 HRH3 (0.53) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2270717 0.83 HRH3 (0.47) HRH3PRKAB2PRKAG1PRKAA2PRKAA1

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 2/4885PRKAB2 4723/4885PRKAG1 4737/4885

“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.