SCHEMBL1026786

SCHEMBL1026786

CCN(CCN(CC(=O)N(C)N1Cc2ccccc2C1)C(=O)CNc1ccc(-c2nn(C)c(=O)o2)cc1C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 13/20 0.33
AHCY P23526 1/20 0.33
NAMPT P43490 1/20 0.32
IL2 P60568 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL1027762 0.95 ACKR3 (0.33) ACKR3AHCYNAMPTIL2GRIN1
SCHEMBL1074905 0.93 ACKR3 (0.34) ACKR3AHCYNAMPTIL2GRIN1
SCHEMBL1028271 0.92 ACKR3 (0.40) ACKR3AHCYIL2
SCHEMBL1028688 0.87 IL2 (0.35) ACKR3AHCYNAMPTIL2GRIN1
SCHEMBL1027779 0.87 ACKR3 (0.40) ACKR3AHCYIL2
SCHEMBL1027712 0.86 ACKR3 (0.42) ACKR3AHCYIL2GRIN1GRIN2B
Hydrochloric Acid SCHEMBL1027611 0.86 AHCY (0.36) ACKR3AHCYIL2GRIN1GRIN2B
Hydrochloric Acid SCHEMBL1025954 0.84 ACKR3 (0.36) ACKR3IL2GRIN1GRIN2B
SCHEMBL1027676 0.83 AHCY (0.38) ACKR3AHCYNAMPT
SCHEMBL1028183 0.82 AHCY (0.34) ACKR3AHCYNAMPT

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 ACKR3 1777/4885AHCY 4108/4885NAMPT 363/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885AHCY 4/4885NAMPT 134/4885

“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.