SCHEMBL1786906

SCHEMBL1786906

COc1ccc(C(=O)NCc2ccc3c(c2)CCN(C2CCOC2)CC3)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.49
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
LMNA P02545 4/20 0.43
NAMPT P43490 4/20 0.42
CD274 Q9NZQ7 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
HDAC1 Q13547 1/20 0.41
WDR5 P61964 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL1789838 0.89 HRH3 (0.61) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1788067 0.86 HRH3 (0.51) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1789460 0.85 HRH3 (0.50) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1789392 0.85 ALDH1A1 (0.49) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1790093 0.84 HRH3 (0.53) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1787254 0.84 HRH3 (0.53) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1790222 0.83 NAMPT (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1787190 0.82 HRH3 (0.61) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1789541 0.82 HRH3 (0.54) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1786878 0.82 KLKB1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885PRKAB2 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.