SCHEMBL1027114

SCHEMBL1027114

Cc1cc(Br)ccc1N(CCN(C(=O)OC(C)(C)C)C(C)C)C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.37
AAK1 Q2M2I8 3/20 0.35
ACKR3 P25106 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL1197133 0.94 AHCY (0.37) AHCYAAK1ACKR3
SCHEMBL1026980 0.92 AHCY (0.37) AHCYAAK1ACKR3TAS1R3TAS1R1
SCHEMBL1197317 0.89 AHCY (0.38) AHCYAAK1TAS1R3TAS1R1TAS1R2
SCHEMBL1197827 0.88 AHCY (0.36) AHCYACKR3
SCHEMBL1025046 0.86 AHCY (0.46) AHCYACKR3
SCHEMBL1082094 0.85 AHCY (0.37) AHCYACKR3
SCHEMBL1027823 0.85 AHCY (0.45) AHCYACKR3TAS1R3TAS1R1TAS1R2
SCHEMBL1024858 0.84 AHCY (0.36) AHCYAAK1ACKR3
SCHEMBL1027452 0.84 AHCY (0.36) AHCYACKR3
SCHEMBL1027927 0.83 AHCY (0.39) AHCYACKR3TAS1R3TAS1R1TAS1R2

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 4108/4885AAK1 2705/4885ACKR3 1777/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885AAK1 2690/4885ACKR3 4604/4885

“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.