SCHEMBL1788044

SCHEMBL1788044

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.35
EPHX2 P34913 1/20 0.34
MTNR1B P49286 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
OPRK1 P41145 1/20 0.34
P2RX3 P56373 4/20 0.33
P2RX2 Q9UBL9 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
SLC9A1 P19634 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
SCHEMBL1791323 0.83 EPHX2 (0.35) MCHR1EPHX2MTNR1BTPSAB1TPSD1
SCHEMBL1788041 0.82 HRH3 (0.41) ALDH1A1
SCHEMBL1791202 0.81 EPHX2 (0.37) MCHR1EPHX2MTNR1B
SCHEMBL1787601 0.78 OPRM1 (0.32) MCHR1MTNR1BOPRK1MEN1ALDH1A1
SCHEMBL1787091 0.77 MTNR1B (0.34) MCHR1MTNR1BMEN1KMT2AMAPT
SCHEMBL1790805 0.75 KMT2A (0.53) ALDH1A1KMT2AMAPT
SCHEMBL1786842 0.75 ALDH1A1 (0.34) EPHX2MTNR1BP2RX3ALDH1A1KMT2A
SCHEMBL1791090 0.74 WDR5 (0.34) EPHX2MTNR1BOPRK1P2RX3MEN1
SCHEMBL1789593 0.74 ALDH1A1 (0.43) MEN1ALDH1A1KMT2AMAPT
SCHEMBL1792070 0.74 MAPT (0.32) MCHR1EPHX2MTNR1BMEN1KMT2A

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 MCHR1 191/4885EPHX2 749/4885MTNR1B 491/4885

“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.