SCHEMBL952907

SCHEMBL952907

Cc1noc([C@@H]2CCCN2C(=O)OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.50
AADAT Q8N5Z0 2/20 0.50
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
GFER P55789 1/20 0.46
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 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
SCHEMBL952909 1.00 PREP (0.50) PREPAADATTMEM97SIGMAR1KLK7
SCHEMBL953960 0.86 CPT1A (0.49) PREPAADATTMEM97SIGMAR1KLK7
SCHEMBL953961 0.86 CPT1A (0.49) PREPAADATTMEM97SIGMAR1KLK7
SCHEMBL24824000 0.84 PREP (0.46) PREPAADATTMEM97SIGMAR1KLK7
SCHEMBL29176589 0.84 PREP (0.46) PREPAADATTMEM97SIGMAR1KLK7
SCHEMBL953138 0.83 AADAT (0.52) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL953139 0.83 AADAT (0.52) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL12234863 0.81 PREP (0.51) PREPAADATTMEM97SIGMAR1KLK7
SCHEMBL8948396 0.81 AADAT (0.52) PREPAADATTMEM97SIGMAR1GFER
SCHEMBL26125683 0.80 MEN1 (0.47)

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 PREP 2030/4885AADAT 1577/4885TMEM97 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.