SCHEMBL1029742

SCHEMBL1029742

Cc1ccc2c(c1)CC(N(C)C(=O)CN(CC(=O)O)c1cc(C#N)ccc1C)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.34
AHCY P23526 13/20 0.33
FFAR1 O14842 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
MCHR1 Q99705 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCR5 P51681 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
SCHEMBL1029674 0.91 AHCY (0.40) FFAR4AHCYCCR5
SCHEMBL1025888 0.89 KEAP1 (0.37) AHCYMCHR1KDM4EALDH1A1
SCHEMBL1027204 0.88 ALDH1A1 (0.36) FFAR4AHCYPTGDR2KDM4EALDH1A1
SCHEMBL11974021 0.85 AHCY (0.51) AHCY
SCHEMBL1025406 0.85 AHCY (0.41) FFAR4AHCYMCHR1CCR5
SCHEMBL11974607 0.84 AHCY (0.52) AHCYMCHR1
Hydrochloric Acid SCHEMBL1197879 0.83 AHCY (0.51) AHCYMCHR1
SCHEMBL1026193 0.78 FFAR1 (0.46) FFAR4FFAR1PTGDR2KDM4EALDH1A1
SCHEMBL11976084 0.76 AHCY (0.51) AHCYMCHR1ALDH1A1
SCHEMBL11975507 0.76 AHCY (0.54) 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 FFAR4 3663/4885AHCY 4108/4885FFAR1 3092/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 FFAR4 4630/4885AHCY 4/4885FFAR1 3345/4885

“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.