SCHEMBL1787830

SCHEMBL1787830

COc1ccc(CC(=O)Cc2ccc3c(c2)CCN(C2=CC=C2)CC3)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 1/20 0.37
MLLT1 Q03111 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ENPP2 Q13822 1/20 0.35
ABCB1 P08183 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
CCNE1 P24864 4/20 0.34
CDK2 P24941 4/20 0.34
GSK3B P49841 3/20 0.34
MET P08581 1/20 0.34
WDR5 P61964 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GPR183 P32249 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL1786865 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM4E
SCHEMBL1787925 0.84 PRMT5 (0.41) PRMT5WDR77MLLT1ENPP2ABCB1
SCHEMBL1787828 0.80 HRH3 (0.52) HRH3
SCHEMBL1789593 0.76 ALDH1A1 (0.43) SMN1; SMN2
SCHEMBL1788306 0.75 LMNA (0.43)
SCHEMBL1790557 0.75 ALDH1A1 (0.37) SMN1; SMN2KDM4EHRH3
Potassium Ion SCHEMBL1787642 0.75 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL1787046 0.75 LIPE (0.38) SMN1; SMN2
SCHEMBL1790111 0.71 GRIN2B (0.39) HRH3
SCHEMBL1786585 0.70 HPGD (0.46) PRMT5WDR77SMN1; SMN2

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 PRMT5 1438/4885WDR77 1639/4885MLLT1 2512/4885

“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.