SCHEMBL953139

SCHEMBL953139

Cc1coc(C2CCCN2C(=O)OCc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.52
PREP P48147 3/20 0.48
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
ACE2 Q9BYF1 1/20 0.47
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL953138 1.00 AADAT (0.52) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL18850754 0.87 HCRTR1 (0.53) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL475406 0.86 AADAT (0.51) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL475407 0.86 AADAT (0.51) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL27908484 0.86 AADAT (0.51) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL27891373 0.86 AADAT (0.51) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL27891374 0.85 AADAT (0.49) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL952907 0.83 PREP (0.50) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL952909 0.83 PREP (0.50) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL673184 0.81 PRCP (0.56) AADATTMEM97SIGMAR1HSD17B10

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-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 AADAT 1577/4885PREP 2030/4885TMEM97 326/4885

“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.