SCHEMBL1028149

SCHEMBL1028149

CN(C(=O)CN(CC(=O)O)c1cc(C#N)ccc1F)N1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.41
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
OPRM1 P35372 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
MGLL Q99685 1/20 0.34
NAMPT P43490 3/20 0.34
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CXCR3 P49682 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.32
OPRK1 P41145 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 0.89 AHCY (0.39) AHCYPTGDRPTGDR2KEAP1NFE2L2
SCHEMBL1025604 0.88 AHCY (0.42) AHCYPTGDRPTGDR2KEAP1NFE2L2
SCHEMBL1027836 0.88 AHCY (0.41) AHCYPTGDRPTGDR2KEAP1NFE2L2
SCHEMBL1025100 0.87 PTGDR2 (0.39) AHCYPTGDR2KEAP1NFE2L2OPRM1
SCHEMBL1027043 0.87 AHCY (0.39) AHCYPTGDRPTGDR2KEAP1NFE2L2
SCHEMBL1024485 0.85 AHCY (0.53) AHCY
SCHEMBL11974059 0.85 AHCY (0.59) AHCYNAMPT
SCHEMBL11904165 0.83 AHCY (0.49) AHCYSDCBPSDC2
SCHEMBL1025454 0.83 PTGDR (0.37) AHCYPTGDRPTGDR2KEAP1NFE2L2
SCHEMBL1027729 0.80 XDH (0.38) AHCYKEAP1NFE2L2OPRM1DRD2

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 4108/4885PTGDR 528/4885PTGDR2 504/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885PTGDR 4447/4885PTGDR2 4330/4885

“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.