SCHEMBL1787601

SCHEMBL1787601

CCC(=O)N1CCC(F)(C(=O)Cc2ccc3c(c2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDK2 Q15119 1/20 0.32
MCHR1 Q99705 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
MTNR1B P49286 1/20 0.31
OPRK1 P41145 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1787091 0.83 MTNR1B (0.34) OPRM1PDK2MCHR1MEN1TSHR
SCHEMBL1790157 0.83 OPRM1 (0.31) OPRM1PDK2MCHR1MEN1TSHR
SCHEMBL1787599 0.80 HRH3 (0.40) ALDH1A1
SCHEMBL1792070 0.80 MAPT (0.32) OPRM1MCHR1MEN1TSHRKMT2A
SCHEMBL1788044 0.78 MCHR1 (0.35) ALDH1A1MCHR1MEN1KMT2AMTNR1B
SCHEMBL1791202 0.75 EPHX2 (0.37) MCHR1MTNR1B
SCHEMBL1790805 0.75 KMT2A (0.53) ALDH1A1GAAKMT2AMAPT
SCHEMBL1790135 0.74 HDAC6 (0.39) ALDH1A1MEN1KMT2AMAPT
SCHEMBL1789593 0.74 ALDH1A1 (0.43) ALDH1A1NPSR1MEN1KMT2ALMNA
Potassium Ion SCHEMBL1787642 0.74 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ALMNAMAPT

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 OPRM1 7/4885ALDH1A1 1526/4885GAA 4339/4885

“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.