SCHEMBL952644

SCHEMBL952644

CCOC(=O)N1CCN(C(=O)OCc2ccccc2)[C@H](C)C1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.67
PDK2 Q15119 1/20 0.67
PDK3 Q15120 1/20 0.67
PDK4 Q16654 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HTR2C P28335 1/20 0.51
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SPR P35270 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
P2RY12 Q9H244 4/20 0.48

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
SCHEMBL951381 1.00 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL2584283 1.00 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL4329059 0.96 PDK1 (0.71) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL18711275 0.89 PDK1 (0.69) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL2380922 0.87 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL29300886 0.87 PDK1 (0.70) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL953545 0.87 PDK1 (0.70) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL952361 0.87 PDK1 (0.70) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL8117814 0.87 PDK1 (0.67) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL19120482 0.86 PDK1 (0.52) PDK1PDK2PDK3PDK4SMN1; SMN2

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 PDK1 1127/4885PDK2 590/4885PDK3 868/4885

“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.