SCHEMBL1789736

SCHEMBL1789736

CC(=O)N1CCCC(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMYD3 Q9H7B4 4/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
BCHE P06276 2/20 0.40
MAOB P27338 1/20 0.40
NAMPT P43490 1/20 0.40
PRMT5 O14744 2/20 0.40
NPC1 O15118 1/20 0.40
TPSAB1 Q15661 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1788544 0.89 SMYD3 (0.42) KDM4ESMYD3NAMPTPRMT5TPSAB1
SCHEMBL1789797 0.87 MEN1 (0.46) KDM4EKMT2AALDH1A1MEN1NAMPT
SCHEMBL1789721 0.86 MEN1 (0.47) KDM4EKMT2AALDH1A1MEN1NAMPT
SCHEMBL1789735 0.84 HRH3 (0.48) KDM4EKMT2AALDH1A1SMYD3LMNA
SCHEMBL1791890 0.81 NAMPT (0.51) NAMPT
SCHEMBL1787713 0.81 SMYD3 (0.53) SMYD3NAMPTTPSAB1HDAC6
SCHEMBL1790107 0.81 NAMPT (0.48) KDM4ELMNANAMPT
SCHEMBL1788777 0.80 HRH3 (0.46) BCHEMAOBTPSAB1HDAC6
SCHEMBL1789863 0.79 SMYD3 (0.38) SMYD3NAMPTPRMT5HDAC6
SCHEMBL1787579 0.79 NAMPT (0.49) NAMPT

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 KDM4E 1983/4885KMT2A 731/4885ALDH1A1 1526/4885

“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.