SCHEMBL1024250

SCHEMBL1024250

CN(CCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHCY P23526 15/20 0.45
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
METAP2 P50579 1/20 0.32
MCHR1 Q99705 1/20 0.32
FDFT1 P37268 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 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
SCHEMBL1026757 0.92 AHCY (0.44) AHCYMETAP2MCHR1FNTAFNTB
SCHEMBL1030102 0.91 AHCY (0.47) AHCYTAS1R3TAS1R1TAS1R2FDFT1
SCHEMBL1027823 0.84 AHCY (0.45) AHCYTAS1R3TAS1R1TAS1R2FDFT1
SCHEMBL1027502 0.84 AHCY (0.46) AHCY
SCHEMBL1025046 0.84 AHCY (0.46) AHCY
SCHEMBL1196800 0.83 AHCY (0.35) AHCYMETAP2
Hydrochloric Acid SCHEMBL1028995 0.82 AHCY (0.50) AHCYTAS1R3TAS1R1TAS1R2
SCHEMBL1025650 0.82 NPY2R (0.36) AHCYMETAP2
SCHEMBL1026675 0.81 AHCY (0.39) AHCYFNTAFNTB
SCHEMBL1024362 0.81 AHCY (0.38) AHCYFNTAFNTB

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 4108/4885TAS1R3 3550/4885TAS1R1 3634/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885TAS1R3 2708/4885TAS1R1 1853/4885

“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.