SCHEMBL1790748

SCHEMBL1790748

CCN1CCc2ccc(C(=O)NCc3ccccc3)cc2CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.49
MAPK14 Q16539 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CHRM3 P20309 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL12608451 0.89 TP53 (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1787470 0.89 ALDH1A1 (0.56) KDM4EALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL1788721 0.88 GAA (0.51) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL1788003 0.88 SMN1; SMN2 (0.53) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL1787078 0.88 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1787602 0.88 ROCK2 (0.52) MEN1KMT2ASMN1; SMN2NPC1CHRM3
SCHEMBL1787871 0.87 HRH3 (0.54) KDM4EALDH1A1MEN1GAATSHR
SCHEMBL1787833 0.87 LMNA (0.64) ALDH1A1GAATSHRKMT2ASMN1; SMN2
SCHEMBL1792485 0.86 MAPT (0.58) MEN1TSHRKMT2ARAB9ASMN1; SMN2
SCHEMBL1791213 0.86 MMP13 (0.62) ALDH1A1GAAKMT2ANPC1HPGD

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 KDM4E 1983/4885ALDH1A1 1526/4885MEN1 2515/4885

“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.