SCHEMBL951564

SCHEMBL951564

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RY12 Q9H244 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 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
SCHEMBL956357 0.92 POLB (0.39) POLBTSHRGAAALDH1A1NPSR1
SCHEMBL4599020 0.81 SYK (0.40) GAAMAPTMEN1KMT2A
SCHEMBL4600319 0.81 SYK (0.40) GAAMAPTMEN1KMT2A
SCHEMBL2853529 0.79 POLB (0.39) POLBTSHRGAAALDH1A1KMT2A
SCHEMBL951567 0.77 BACE1 (0.48) TSHR
SCHEMBL951566 0.77 BACE1 (0.48) TSHR
SCHEMBL3660131 0.76 BACE1 (0.40) POLBTSHRGAAALDH1A1NPSR1
SCHEMBL957065 0.76 ALDH1A1 (0.41) POLBTSHRGAAALDH1A1NPSR1
SCHEMBL23455560 0.75 NPFFR1 (0.36) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4612508 0.74 MALT1 (0.43) GAAMEN1KMT2A

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.