SCHEMBL1027152

SCHEMBL1027152

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.33
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 4/20 0.33
NAMPT P43490 4/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
SCHEMBL1027740 0.97 AHCY (0.33) AHCYDPP8DPP9NAMPTMEN1
SCHEMBL1028577 0.91 S1PR1 (0.33) AHCYDPP8DPP9NAMPTNOTUM
SCHEMBL1026285 0.91 AHCY (0.40) AHCYNAMPTMEN1KMT2AALDH1A1
SCHEMBL1029147 0.89 DPP8 (0.35) AHCYDPP8DPP9NAMPTDPP7
SCHEMBL1025931 0.87 AHCY (0.40) AHCYNAMPTTSHRNOTUM
SCHEMBL11975198 0.86 AHCY (0.47) AHCYDPP8DPP9NAMPTNOTUM
SCHEMBL1028456 0.86 DPP8 (0.35) AHCYDPP8DPP9NAMPTDPP7
SCHEMBL1026234 0.84 AHCY (0.33) AHCYDPP8DPP9NAMPTMEN1
SCHEMBL11975756 0.83 AHCY (0.47) AHCYDPP8DPP9NAMPTNOTUM
SCHEMBL1024224 0.83 AHCY (0.33) AHCYDPP8DPP9NAMPTMEN1

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 4108/4885DPP8 2320/4885DPP9 1542/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885DPP8 2916/4885DPP9 1760/4885

“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.