SCHEMBL1024987

SCHEMBL1024987

Cc1ccc2c(c1)CC(N(C)C(=O)CNCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)c1cc(C#N)ccc1C)C2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.38
MCHR1 Q99705 3/20 0.32
NR1H2 P55055 1/20 0.32
RORC P51449 1/20 0.30

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
SCHEMBL1027978 0.93 AHCY (0.38) AHCYMCHR1NR1H2
SCHEMBL1024935 0.93 AHCY (0.40) AHCYMCHR1NR1H2
SCHEMBL1027268 0.91 AHCY (0.38) AHCYRORC
SCHEMBL1025396 0.90 AHCY (0.39) AHCYMCHR1NR1H2
SCHEMBL1027899 0.88 AHCY (0.39) AHCYRORC
SCHEMBL1026812 0.88 AHCY (0.40) AHCYRORC
SCHEMBL1026623 0.85 AHCY (0.40) AHCYMCHR1NR1H2
SCHEMBL1028257 0.85 AHCY (0.33) AHCYMCHR1
Hydrochloric Acid SCHEMBL11896365 0.84 AHCY (0.33) AHCYMCHR1
Hydrochloric Acid SCHEMBL1029529 0.82 AHCY (0.33) AHCYMCHR1

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 4108/4885MCHR1 1637/4885NR1H2 2280/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885MCHR1 1070/4885NR1H2 2317/4885

“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.