SCHEMBL1029674

SCHEMBL1029674

Cc1ccc(C#N)cc1N(CC(=O)O)CC(=O)N(C)C1Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHCY P23526 16/20 0.40
FFAR4 Q5NUL3 1/20 0.36
CCR5 P51681 1/20 0.36
NPY5R Q15761 1/20 0.34

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
SCHEMBL1025406 0.93 AHCY (0.41) AHCYFFAR4CCR5NPY5R
SCHEMBL1029742 0.91 FFAR4 (0.34) AHCYFFAR4CCR5
SCHEMBL1027204 0.88 ALDH1A1 (0.36) AHCYFFAR4
SCHEMBL1025888 0.88 KEAP1 (0.37) AHCY
SCHEMBL1028562 0.84 AHCY (0.39) AHCYFFAR4CCR5
SCHEMBL11974039 0.81 AHCY (0.49) AHCY
SCHEMBL1026193 0.81 FFAR1 (0.46) FFAR4
SCHEMBL1026147 0.78 KEAP1 (0.35) AHCYFFAR4
SCHEMBL11973951 0.78 AHCY (0.54) AHCY
SCHEMBL11974021 0.77 AHCY (0.51) AHCY

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 4108/4885FFAR4 3663/4885CCR5 3260/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885FFAR4 4630/4885CCR5 4271/4885

“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.