SCHEMBL1027641

SCHEMBL1027641

Cc1ccc(C#N)cc1N(CC(=O)OC(C)(C)C)CC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
AHCY P23526 10/20 0.38
ABCB1 P08183 1/20 0.37
DRD2 P14416 2/20 0.34
RORC P51449 1/20 0.33
ACACB O00763 1/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL1028562 0.87 AHCY (0.39) AHCYDRD2DRD4OPRM1DRD3
SCHEMBL1028593 0.84 AHCY (0.39) AHCYDRD2
SCHEMBL11975038 0.80 AHCY (0.58) AHCY
SCHEMBL1027043 0.79 AHCY (0.39) AHCYDRD2DRD4OPRM1DRD3
SCHEMBL1025761 0.79 AHCY (0.35) AHCYDRD2
SCHEMBL1196536 0.79 GPR119 (0.39) AHCYGPR119
SCHEMBL11973950 0.78 AHCY (0.48) AHCY
SCHEMBL1028289 0.78 AHCY (0.38) AHCY
SCHEMBL11976110 0.78 AHCY (0.49) AHCY
SCHEMBL1026774 0.78 AHCY (0.39) AHCYDRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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 (2 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 FNTA 919/4885FNTB 2999/4885AHCY 4108/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 FNTA 403/4885FNTB 393/4885AHCY 4/4885

“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.