SCHEMBL1788059

SCHEMBL1788059

O=C1CC(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)CN1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 8/20 0.40
HDAC6 Q9UBN7 2/20 0.34
PRMT5 O14744 4/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
USP30 Q70CQ3 1/20 0.33
OPRL1 P41146 1/20 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
SCHEMBL1789797 0.83 MEN1 (0.46) HDAC6
SCHEMBL1787713 0.83 SMYD3 (0.53) SMYD3HDAC6
SCHEMBL1789721 0.83 MEN1 (0.47) HDAC6
SCHEMBL1789863 0.82 SMYD3 (0.38) SMYD3HDAC6PRMT5OPRM1OPRK1
SCHEMBL1788058 0.81 HRH3 (0.47) SMYD3HDAC6
SCHEMBL1791689 0.81 SMYD3 (0.37) SMYD3HDAC6OPRM1OPRK1DRD2
SCHEMBL1790107 0.81 NAMPT (0.48)
SCHEMBL1787579 0.79 NAMPT (0.49)
SCHEMBL1788544 0.79 SMYD3 (0.42) SMYD3HDAC6PRMT5
SCHEMBL1788777 0.78 HRH3 (0.46) HDAC6

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 386/4885HDAC6 683/4885PRMT5 1438/4885

“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.