SCHEMBL1025931

SCHEMBL1025931

CCOC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc2nn(C)cc2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.40
NOTUM Q6P988 2/20 0.35
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
NAMPT P43490 1/20 0.32
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31
TSHR P16473 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
S1PR1 P21453 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL1026285 0.96 AHCY (0.40) AHCYNOTUMOPRM1OPRD1OPRK1
SCHEMBL1027740 0.91 AHCY (0.33) AHCYNOTUMSTIM1ORAI1NAMPT
SCHEMBL1027152 0.87 AHCY (0.33) AHCYNOTUMNAMPTTSHR
SCHEMBL1024763 0.87 AHCY (0.39) AHCYNOTUMOPRM1OPRD1OPRK1
SCHEMBL1026667 0.87 AHCY (0.37) AHCYNAMPTS1PR1HSP90AA1
SCHEMBL11974083 0.85 AHCY (0.55) AHCYNOTUM
SCHEMBL1026358 0.83 AHCY (0.40) AHCYNOTUMOPRM1OPRD1OPRK1
SCHEMBL11976239 0.81 AHCY (0.55) AHCYNOTUM
SCHEMBL1026773 0.81 AHCY (0.40) AHCYNOTUMOPRM1OPRD1OPRK1
SCHEMBL1073945 0.80 AHCY (0.39) AHCYS1PR1

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 3617/4885OPRM1 4572/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885NOTUM 379/4885OPRM1 4488/4885

“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.