SCHEMBL1028577

SCHEMBL1028577

CCOC(=O)CN(CC(=O)N(C)N1Cc2ccc(F)cc2C1)c1cc2cn(CC)nc2cc1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
NAMPT P43490 3/20 0.33
NOTUM Q6P988 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
AHCY P23526 3/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
SCD O00767 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
SCHEMBL1029147 0.93 DPP8 (0.35) S1PR1NAMPTDPP8DPP9AHCY
SCHEMBL1027152 0.91 AHCY (0.33) NAMPTNOTUMDPP8DPP9AHCY
SCHEMBL1024763 0.91 AHCY (0.39) S1PR1NAMPTNOTUMAHCYIRAK4
SCHEMBL1028456 0.90 DPP8 (0.35) S1PR1NAMPTDPP8DPP9AHCY
SCHEMBL1027740 0.88 AHCY (0.33) NAMPTNOTUMDPP8DPP9AHCY
SCHEMBL11975738 0.86 AHCY (0.46) NAMPTNOTUMDPP8DPP9AHCY
SCHEMBL1027931 0.84 DPP9 (0.36) NAMPTDPP8DPP9IRAK4
SCHEMBL1028037 0.83 DPP8 (0.33) S1PR1NAMPTNOTUMDPP8DPP9
SCHEMBL1026667 0.82 AHCY (0.37) S1PR1NAMPTAHCYIRAK4
SCHEMBL1026973 0.82 S1PR1 (0.35) S1PR1NAMPTDPP8DPP9AHCY

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 S1PR1 229/4885NAMPT 363/4885NOTUM 3617/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 S1PR1 1206/4885NAMPT 134/4885NOTUM 379/4885

“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.