SCHEMBL1027689

SCHEMBL1027689

Cc1cc2cnn(CC(F)F)c2cc1N(CC(=O)O)CC(=O)N(C)N1Cc2ccc(F)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 7/20 0.36
DPP8 Q6V1X1 6/20 0.36
MAPK14 Q16539 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
NAMPT P43490 5/20 0.32
DPP7 Q9UHL4 5/20 0.32
DPP4 P27487 4/20 0.32
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
P2RX7 Q99572 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
SCHEMBL1026547 0.93 AHCY (0.35) MAPK14
SCHEMBL1027271 0.91 MAPK14 (0.35) DPP9DPP8MAPK14HTR2AHTR2C
SCHEMBL1025223 0.89 AHCY (0.35) MAPK14
SCHEMBL1028634 0.88 MAPK14 (0.35) DPP9DPP8MAPK14HTR2AHTR2C
SCHEMBL11974078 0.87 AHCY (0.45) DPP9DPP8MAPK14HTR2AHTR2C
SCHEMBL11973988 0.84 AHCY (0.45) DPP9DPP8MAPK14HTR2AHTR2C
SCHEMBL1027072 0.84 AHCY (0.37) MAPK14NAMPTCHRM1
SCHEMBL1026331 0.83 DPP8 (0.31) DPP9DPP8MAPK14DPP7
SCHEMBL1025705 0.82 DPP9 (0.36) DPP9DPP8NAMPTDPP7DPP4
SCHEMBL1028903 0.82 RXRA (0.42) DPP9DPP8HTR2ANAMPT

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 DPP9 1542/4885DPP8 2320/4885MAPK14 1666/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 DPP9 1760/4885DPP8 2916/4885MAPK14 2008/4885

“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.