SCHEMBL1787091

SCHEMBL1787091

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.34
MAPT P10636 3/20 0.33
OPRM1 P35372 1/20 0.33
CYP46A1 Q9Y6A2 2/20 0.33
PDK2 Q15119 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MCHR1 Q99705 1/20 0.33
TP53 P04637 2/20 0.32
CYP3A4 P08684 1/20 0.32
AVPR1A P37288 2/20 0.32
THRB P10828 1/20 0.32
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
AVPR1B P47901 1/20 0.32

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
SCHEMBL1978745 0.88 AVPR1A (0.35) OPRM1CYP46A1CYP3A4AVPR1AAVPR1B
SCHEMBL1789949 0.86 CYP3A4 (0.36) CYP46A1CYP3A4AVPR1A
SCHEMBL1790522 0.84 ESR2 (0.42) PDK2
SCHEMBL1791306 0.83 HDAC6 (0.41) MAPTMEN1KMT2A
SCHEMBL1787601 0.83 OPRM1 (0.32) MTNR1BMAPTOPRM1PDK2MEN1
SCHEMBL1792070 0.82 MAPT (0.32) MTNR1BMAPTOPRM1MEN1TSHR
SCHEMBL1790157 0.81 OPRM1 (0.31) OPRM1PDK2MEN1TSHRKMT2A
SCHEMBL1790199 0.81 DRD2 (0.39) MTNR1B
SCHEMBL1788695 0.80 MLNR (0.31)
SCHEMBL1791660 0.79 CCR8 (0.34) MTNR1BOPRM1CYP46A1

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 MTNR1B 491/4885MAPT 3598/4885OPRM1 7/4885

“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.