SCHEMBL1787962

SCHEMBL1787962

Cn1nc(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.46
HTR3A P46098 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
SLC22A2 O15244 1/20 0.42
HTR3B O95264 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
OGFRL1 Q5TC84 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HRH1 P35367 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1787963 0.82 HSD17B13 (0.39) HSD17B13
SCHEMBL1788806 0.81 HRH3 (0.54) HRH3KDM2BCYP2D6
SCHEMBL1787588 0.80 MAPT (0.47) HRH3OGFRL1OPRM1OPRD1OPRK1
SCHEMBL1788398 0.80 HRH3 (0.46) HRH3HRH1KDM2BCYP2D6
SCHEMBL1792605 0.79 SLC5A7 (0.50) HRH3HRH1KDM2B
SCHEMBL1787243 0.79 HRH3 (0.48) HRH3HRH1KDM2BCYP2D6
SCHEMBL1789634 0.79 HRH3 (0.57) HRH3KCNH2HRH1CYP2D6
SCHEMBL1791545 0.79 HRH3 (0.48) HRH3HRH1KDM2B
SCHEMBL1789968 0.79 ROCK2 (0.51) HRH3HRH1KDM2B
SCHEMBL1786310 0.79 HRH3 (0.48) HRH3HRH1KDM2BCYP2D6

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 2/4885HTR3A 38/4885HTR3E 55/4885

“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.