SCHEMBL1789863

SCHEMBL1789863

CN1CC(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.38
OPRM1 P35372 3/20 0.37
OPRK1 P41145 3/20 0.37
OPRL1 P41146 1/20 0.37
USP30 Q70CQ3 1/20 0.36
NAMPT P43490 3/20 0.36
HDAC6 Q9UBN7 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PRMT5 O14744 2/20 0.35
BRD4 O60885 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1789797 0.83 MEN1 (0.46) NAMPTHDAC6HPGD
SCHEMBL1789721 0.82 MEN1 (0.47) NAMPTHDAC6HPGD
SCHEMBL1789861 0.82 HRH3 (0.48) SMYD3HDAC6CYP2C9HPGD
SCHEMBL1788059 0.82 SMYD3 (0.40) SMYD3OPRM1OPRK1OPRL1USP30
SCHEMBL1788544 0.80 SMYD3 (0.42) SMYD3NAMPTHDAC6PRMT5KCNH2
SCHEMBL1787713 0.80 SMYD3 (0.53) SMYD3NAMPTHDAC6BRD4KCNH2
SCHEMBL1790107 0.80 NAMPT (0.48) NAMPTBRD4
SCHEMBL1789736 0.79 KDM4E (0.46) SMYD3NAMPTHDAC6PRMT5
SCHEMBL1787706 0.79 HDAC6 (0.43) SMYD3OPRK1NAMPTHDAC6PRMT5
SCHEMBL1787579 0.78 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 SMYD3 386/4885OPRM1 7/4885OPRK1 10/4885

“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.