SCHEMBL1789908

SCHEMBL1789908

Cc1nc(C(=O)NCc2ccc3c(c2)CCN(C2CCC2)CC3)co1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.49
CYP2D6 P10635 3/20 0.44
HRH1 P35367 1/20 0.43
MLNR O43193 1/20 0.38
TP53 P04637 1/20 0.38
AXL P30530 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
SCHEMBL1792347 0.86 HRH3 (0.56) HRH3CYP2D6HRH1
SCHEMBL1789743 0.83 HRH3 (0.44) HRH3CYP2D6HRH1MLNRTP53
SCHEMBL1790048 0.81 HRH3 (0.51) HRH3CYP2D6MLNR
SCHEMBL1788167 0.81 HRH3 (0.44) HRH3CYP2D6HRH1MLNRTP53
SCHEMBL1789911 0.81 TP53 (0.38) CYP2D6TP53
SCHEMBL1790154 0.80 HRH3 (0.46) HRH3CYP2D6HRH1MLNR
SCHEMBL2261927 0.80 HRH3 (0.50) HRH3CYP2D6HRH1
SCHEMBL1789740 0.79 HRH3 (0.53) HRH3CYP2D6HRH1
SCHEMBL1788050 0.79 HRH3 (0.52) HRH3HRH1TP53
SCHEMBL7949359 0.79 HRH3 (0.50) HRH3CYP2D6HRH1MLNR

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
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 2/4885CYP2D6 359/4885HRH1 4/4885

“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.