SCHEMBL1028612

SCHEMBL1028612

Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1N(CCN(C(=O)OC(C)(C)C)C(C)C)C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
AHCY P23526 1/20 0.34
ACKR3 P25106 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARD Q03181 1/20 0.30
PPARA Q07869 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
Hydrochloric Acid SCHEMBL1027157 0.86 CNR1 (0.34) CNR1CNR2AHCYALDH1A1
SCHEMBL1027023 0.85 AHCY (0.43) AHCYACKR3PPARDPPARA
SCHEMBL1025046 0.83 AHCY (0.46) AHCYACKR3
SCHEMBL1197133 0.83 AHCY (0.37) AHCYACKR3
SCHEMBL1024974 0.83 AHCY (0.35) AHCYACKR3
SCHEMBL1082094 0.82 AHCY (0.37) AHCYACKR3
SCHEMBL1024858 0.82 AHCY (0.36) AHCYACKR3
SCHEMBL1027452 0.81 AHCY (0.36) AHCYACKR3
SCHEMBL1027114 0.79 AHCY (0.37) AHCYACKR3
SCHEMBL1026980 0.78 AHCY (0.37) AHCYACKR3

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
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 CNR1 1521/4885CNR2 2027/4885AHCY 4108/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 CNR1 2397/4885CNR2 3197/4885AHCY 4/4885

“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.