SCHEMBL1024869

SCHEMBL1024869

CCOC(=O)CN(CC(=O)OCC)c1ccc(C#N)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
HCRTR2 O43614 2/20 0.37
DPP4 P27487 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
GPR35 Q9HC97 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 1/20 0.36
AR P10275 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL1025410 0.89 PDCD1 (0.42) PDCD1CD274HRH2HRH1ALDH1A1
SCHEMBL1029059 0.82 FFAR1 (0.43) KDM4EMRGPRX4TDP1
SCHEMBL9770254 0.80 PDCD1 (0.41) PDCD1CD274HRH2HRH1SMN1; SMN2
SCHEMBL9512868 0.80 HCRTR2 (0.48) PDCD1CD274HRH2HRH1ALDH1A1
SCHEMBL1027353 0.78 PPARG (0.36) ALDH1A1SMN1; SMN2KDM4ETDP1AR
SCHEMBL1026492 0.77 CREBBP (0.40) ALDH1A1SMN1; SMN2TDP1
SCHEMBL1025807 0.77 HCAR3 (0.43) TDP1
SCHEMBL1028582 0.76 MMP2 (0.42) ALDH1A1SMN1; SMN2TDP1
SCHEMBL1027351 0.76 MAPT (0.38) ALDH1A1SMN1; SMN2KDM4ETDP1HPGD
SCHEMBL30088492 0.75 PDCD1 (0.45) PDCD1CD274HRH2HRH1ALDH1A1

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 PDCD1 4071/4885CD274 4114/4885HRH2 3017/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 PDCD1 4025/4885CD274 4643/4885HRH2 2620/4885

“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.