SCHEMBL953960

SCHEMBL953960

O=C(OCc1ccccc1)N1CCC[C@H]1c1nc(C2CC2)no1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.49
CPT2 P23786 3/20 0.48
PREP P48147 4/20 0.48
AADAT Q8N5Z0 2/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CPT1B Q92523 1/20 0.44
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL953961 1.00 CPT1A (0.49) CPT1ACPT2PREPAADATDPP4
SCHEMBL952909 0.86 PREP (0.50) PREPAADATTMEM97SIGMAR1KLK7
SCHEMBL952907 0.86 PREP (0.50) PREPAADATTMEM97SIGMAR1KLK7
SCHEMBL24824000 0.83 PREP (0.46) CPT1ACPT2PREPAADATTMEM97
SCHEMBL29176589 0.83 PREP (0.46) CPT1ACPT2PREPAADATTMEM97
SCHEMBL953138 0.78 AADAT (0.52) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL18850754 0.78 HCRTR1 (0.53) PREPAADATDPP4TMEM97SIGMAR1
SCHEMBL953139 0.78 AADAT (0.52) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL29277932 0.78 PREP (0.52) PREPAADATTMEM97SIGMAR1TSHR
SCHEMBL4220121 0.78 PREP (0.50) PREPAADATTMEM97SIGMAR1TSHR

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 CPT1A 4127/4885CPT2 3944/4885PREP 2030/4885

“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.