SCHEMBL1027452

SCHEMBL1027452

Cc1ccc(C#N)cc1N(CCN(C(=O)OC(C)(C)C)C(C)C)C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.36
ACKR3 P25106 2/20 0.34
RORC P51449 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
F2R P25116 1/20 0.30
DRD2 P14416 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
SCHEMBL1024974 0.94 AHCY (0.35) AHCYACKR3F2R
SCHEMBL1197827 0.94 AHCY (0.36) AHCYACKR3RORCHCRTR1HCRTR2
SCHEMBL1028067 0.92 AHCY (0.37) AHCYACKR3HCRTR1HCRTR2FNTA
SCHEMBL1025869 0.92 KCNH2 (0.34) AHCYDRD2
SCHEMBL1197540 0.92 AHCY (0.33) AHCYDRD2
SCHEMBL1028288 0.92 AHCY (0.37) AHCYACKR3HCRTR1HCRTR2FNTA
SCHEMBL1024362 0.92 AHCY (0.38) AHCYACKR3HCRTR1HCRTR2FNTA
SCHEMBL1197274 0.90 AHCY (0.35) AHCYACKR3HCRTR1HCRTR2FNTA
SCHEMBL1027776 0.90 ACKR3 (0.36) AHCYACKR3HCRTR1HCRTR2
SCHEMBL1027854 0.89 AHCY (0.36) AHCYRORCHCRTR1HCRTR2FNTA

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 4 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
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 (1 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 4108/4885ACKR3 1777/4885RORC 551/4885

“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.