SCHEMBL1788640

SCHEMBL1788640

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1cnc(N2CC[C@H](F)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.45
CXCR3 P49682 3/20 0.42
DGAT2 Q96PD7 4/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
BRAF P15056 2/20 0.41
HRH1 P35367 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 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
SCHEMBL1787507 1.00 HRH3 (0.45) HRH3CXCR3DGAT2PRKAB2PRKAG1
SCHEMBL1787502 1.00 HRH3 (0.45) HRH3CXCR3DGAT2PRKAB2PRKAG1
SCHEMBL1788619 0.90 HRH3 (0.48) HRH3CXCR3DGAT2PRKAB2PRKAG1
SCHEMBL1787839 0.90 HRH3 (0.49) HRH3CXCR3DGAT2PRKAB2PRKAG1
SCHEMBL1787838 0.90 HRH3 (0.49) HRH3CXCR3DGAT2PRKAB2PRKAG1
SCHEMBL1788393 0.90 HRH3 (0.49) HRH3CXCR3DGAT2PRKAB2PRKAG1
SCHEMBL2189204 0.88 DGAT2 (0.47) HRH3DGAT2HRH1KLKB1KLK1
SCHEMBL2194547 0.88 DGAT2 (0.47) HRH3DGAT2HRH1KLKB1KLK1
SCHEMBL2193394 0.87 HRH3 (0.45) HRH3CXCR3PRKAB2PRKAG1PRKAA2
SCHEMBL2193364 0.86 HRH3 (0.45) HRH3CXCR3PRKAB2PRKAG1PRKAA2

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 2/4885CXCR3 315/4885DGAT2 2355/4885

“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.