SCHEMBL1787504

SCHEMBL1787504

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)c1cnc(N2CCC(F)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 11/20 0.43
BRAF P15056 3/20 0.41
KLKB1 P03952 2/20 0.40
KLK1 P06870 2/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
AOC3 Q16853 1/20 0.37
CXCR3 P49682 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
SCHEMBL1788622 0.87 DGAT2 (0.42) DGAT2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788640 0.85 HRH3 (0.45) DGAT2BRAFKLKB1KLK1PRKAB2
SCHEMBL1787507 0.85 HRH3 (0.45) DGAT2BRAFKLKB1KLK1PRKAB2
SCHEMBL1787502 0.85 HRH3 (0.45) DGAT2BRAFKLKB1KLK1PRKAB2
SCHEMBL1788052 0.83 TP53 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1787198 0.82 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1787185 0.81 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1788306 0.81 LMNA (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1788407 0.80 PRKAB2 (0.40) DGAT2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788356 0.80 TP53 (0.44) DGAT2PRKAB2PRKAG1PRKAA2PRKAA1

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 3 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
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 DGAT2 2355/4885BRAF 4062/4885KLKB1 3739/4885

“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.