SCHEMBL1024763

SCHEMBL1024763

CCOC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc2cn(CC)nc2cc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.39
NOTUM Q6P988 1/20 0.36
S1PR1 P21453 1/20 0.35
IRAK4 Q9NWZ3 7/20 0.33
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
NAMPT P43490 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1028577 0.91 S1PR1 (0.33) AHCYNOTUMS1PR1IRAK4NAMPT
SCHEMBL1026285 0.90 AHCY (0.40) AHCYNOTUMS1PR1OPRM1OPRD1
SCHEMBL1026667 0.88 AHCY (0.37) AHCYS1PR1IRAK4NAMPT
SCHEMBL1025931 0.87 AHCY (0.40) AHCYNOTUMS1PR1OPRM1OPRD1
SCHEMBL11973986 0.85 AHCY (0.54) AHCYNOTUMIRAK4
SCHEMBL1029147 0.84 DPP8 (0.35) AHCYS1PR1IRAK4NAMPT
SCHEMBL1027301 0.81 AHCY (0.39) AHCYNOTUMOPRM1OPRD1OPRK1
SCHEMBL1027152 0.81 AHCY (0.33) AHCYNOTUMNAMPTTSHR
SCHEMBL1028456 0.81 DPP8 (0.35) AHCYS1PR1IRAK4NAMPT
SCHEMBL1028229 0.80 AHCY (0.40) AHCYS1PR1NAMPT

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 AHCY 4108/4885NOTUM 3617/4885S1PR1 229/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885NOTUM 379/4885S1PR1 1206/4885

“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.