SCHEMBL1786842

SCHEMBL1786842

CCC(=O)N1CCC(CC(=O)C(c2ccc3c(c2)CCN(C2=CC=C2)CC3)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CHRM5 P08912 1/20 0.33
GAA P10253 3/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 1/20 0.32
MTNR1B P49286 1/20 0.32
AKR1C3 P42330 3/20 0.32
AKR1C1 Q04828 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ESR2 Q92731 1/20 0.31
P2RX3 P56373 1/20 0.31
SLC9A1 P19634 1/20 0.31

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
SCHEMBL1786840 0.85 HRH3 (0.40) ALDH1A1CHRM5LMNA
SCHEMBL1788044 0.75 MCHR1 (0.35) ALDH1A1KMT2AEPHX2MTNR1BP2RX3
SCHEMBL1791323 0.71 EPHX2 (0.35) EPHX2MTNR1BP2RX3
SCHEMBL1791202 0.70 EPHX2 (0.37) EPHX2MTNR1B
SCHEMBL1788768 0.69 F10 (0.39)
SCHEMBL1791326 0.68 F10 (0.38)
SCHEMBL1787712 0.67 RORC (0.44)
SCHEMBL12608374 0.66 DRD2 (0.41) ALDH1A1KDM4EKMT2ARAB9AAKR1C3
SCHEMBL1790157 0.65 OPRM1 (0.31) KMT2A
SCHEMBL1787091 0.64 MTNR1B (0.34) KMT2AMTNR1BTP53

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 ALDH1A1 1526/4885KDM4E 1983/4885HPGD 1107/4885

“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.