SCHEMBL1028037

SCHEMBL1028037

CCOC(=O)CN(CC(=O)N(C)N1Cc2ccc(F)cc2C1)c1cc2cnn(CC)c2cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 4/20 0.33
NOTUM Q6P988 1/20 0.33
AHCY P23526 3/20 0.33
MAPK14 Q16539 1/20 0.32
NAMPT P43490 4/20 0.31
S1PR1 P21453 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HK1 P19367 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
DPP7 Q9UHL4 3/20 0.30
DPP4 P27487 2/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
KCNH2 Q12809 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL1028634 0.94 MAPK14 (0.35) DPP8DPP9AHCYMAPK14NAMPT
SCHEMBL1026234 0.93 AHCY (0.33) DPP8DPP9NOTUMAHCYNAMPT
SCHEMBL1027301 0.91 AHCY (0.39) NOTUMAHCYNAMPTSMN1; SMN2POLB
SCHEMBL1027271 0.91 MAPK14 (0.35) DPP8DPP9AHCYMAPK14NAMPT
SCHEMBL1024224 0.89 AHCY (0.33) DPP8DPP9NOTUMAHCYNAMPT
SCHEMBL1029249 0.86 AHCY (0.37) NOTUMAHCYMAPK14NAMPTPOLB
SCHEMBL11976236 0.86 AHCY (0.47) DPP8DPP9NOTUMAHCYMAPK14
SCHEMBL1026973 0.84 S1PR1 (0.35) DPP8DPP9AHCYNAMPTS1PR1
SCHEMBL1027072 0.83 AHCY (0.37) NOTUMAHCYMAPK14NAMPTPOLB
SCHEMBL1028577 0.83 S1PR1 (0.33) DPP8DPP9NOTUMAHCYNAMPT

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 DPP8 2320/4885DPP9 1542/4885NOTUM 3617/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 DPP8 2916/4885DPP9 1760/4885NOTUM 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.