SCHEMBL952359

SCHEMBL952359

CC(C)(C)OC(=O)N1CCN(C(=O)Oc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
MGLL Q99685 1/20 0.57
GPR119 Q8TDV5 1/20 0.56
ALOX15 P16050 1/20 0.55
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51

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
SCHEMBL30140882 0.86 CYP3A4 (0.64) SMN1; SMN2ALDH1A1TSHRTP53CYP3A4
SCHEMBL11882343 0.86 MGLL (0.72) GAAMGLLALOX15KMT2ASMN1; SMN2
SCHEMBL13043643 0.86 CYP2C19 (0.63) GPR119KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL28495954 0.84 GPR119 (0.53) GPR119KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL6581443 0.84 MAPT (0.60) KMT2ASMN1; SMN2MEN1LMNANPC1
Hydrochloric Acid SCHEMBL6581546 0.83 MAPT (0.58) KMT2ASMN1; SMN2MEN1LMNANPC1
Diphenylether SCHEMBL27989772 0.83 MEN1 (0.55) GPR119KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL14590621 0.81 GAA (0.66) GAAMGLLALOX15KMT2ASMN1; SMN2
SCHEMBL5104855 0.81 GAA (0.66) GAAMGLLALOX15KMT2ASMN1; SMN2
SCHEMBL23460548 0.81 GPR119 (0.51) GPR119KMT2AMEN1LMNANPC1

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 6 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
EP-2298356-A2 Multivalent VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS, INC. (US) 2011-03-23 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 GAA 1779/4885MGLL 3165/4885GPR119 224/4885

“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.