SCHEMBL956357

SCHEMBL956357

CCOC(=O)N1CCN(C(=O)[C@H](CCNC(=O)OC(C)(C)C)N(C(=O)OC)C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX15 P16050 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
P2RY12 Q9H244 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL951564 0.92 POLB (0.40) POLBTSHRGAAALDH1A1MEN1
SCHEMBL2853529 0.88 POLB (0.39) POLBTSHRGAAALDH1A1KMT2A
SCHEMBL3660131 0.83 BACE1 (0.40) POLBTSHRGAAALDH1A1MEN1
SCHEMBL4612508 0.82 MALT1 (0.43) GAAMEN1KMT2AMALT1DRD2
SCHEMBL4717209 0.82 MALT1 (0.43) GAAMEN1KMT2AMALT1DRD2
SCHEMBL4719257 0.80 MALT1 (0.41) GAAMEN1KMT2AMALT1DRD2
SCHEMBL956361 0.77 BACE1 (0.47) P2RY12
SCHEMBL956359 0.77 BACE1 (0.47) P2RY12
SCHEMBL1637220 0.77 KMT2A (0.47) GAAMEN1KMT2AMALT1DRD2
SCHEMBL4600039 0.77 KMT2A (0.47) GAAMEN1KMT2AMALT1DRD2

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 POLB 2236/4885TSHR 1012/4885GAA 1779/4885

“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.