SCHEMBL1027698

SCHEMBL1027698

CCN(CCN(CC(=O)N(C)N1Cc2ccccc2C1)C(=O)CNc1cc(-c2nnc(C)s2)ccc1C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.34
ACKR3 P25106 9/20 0.33
NAMPT P43490 1/20 0.33
HTT P42858 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL1028609 0.92 ACKR3 (0.40) AHCYACKR3GSK3BDYRK1A
SCHEMBL1028118 0.88 AHCY (0.34) AHCYACKR3NAMPT
SCHEMBL1025137 0.88 ALDH1A1 (0.36) AHCYACKR3NAMPT
SCHEMBL1025974 0.87 ACKR3 (0.36) AHCYACKR3NAMPT
Hydrochloric Acid SCHEMBL1024377 0.85 AHCY (0.37) AHCYACKR3HTTGSK3BDYRK1A
SCHEMBL1028761 0.84 LMNA (0.37) AHCYACKR3
SCHEMBL1028770 0.84 NPY2R (0.36) AHCYACKR3NAMPT
SCHEMBL1028324 0.84 AHCY (0.37) AHCYACKR3
SCHEMBL1027762 0.83 ACKR3 (0.33) AHCYACKR3NAMPT
Hydrochloric Acid SCHEMBL1029315 0.83 ACKR3 (0.35) AHCYACKR3GSK3BDYRK1A

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