SCHEMBL953585

SCHEMBL953585

CCCCOC(=O)NC1CCN(C(=O)CN)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD11B1 P28845 2/20 0.45
EPHX1 P07099 3/20 0.42
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
NAAA Q02083 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8534730 0.85 SMN1; SMN2 (0.49) EPHX2SMN1; SMN2GAAMAPK1HTT
SCHEMBL6921872 0.81 SMN1; SMN2 (0.55) EPHX2SMN1; SMN2GAAMAPK1HTT
SCHEMBL30136012 0.81 GNAI3 (0.47) EPHX2SMN1; SMN2GAAMAPK1HTT
SCHEMBL13387564 0.81 GAA (0.59) SMN1; SMN2GAAMAPK1HTTEPHX1
SCHEMBL4719490 0.81 GAA (0.59) SMN1; SMN2GAAMAPK1HTTEPHX1
SCHEMBL26677284 0.78 EPHX1 (0.59) EPHX2SMN1; SMN2GAAMAPK1HTT
SCHEMBL1827279 0.78 EPHX1 (0.64) EPHX2SMN1; SMN2GAAMAPK1HTT
SCHEMBL30849249 0.77 GAA (0.50) SMN1; SMN2GAAMAPK1HTTEPHX1
SCHEMBL87421 0.77 GAA (0.52) SMN1; SMN2GAAMAPK1HTTEPHX1
SCHEMBL84042 0.77 GAA (0.52) SMN1; SMN2GAAMAPK1HTTEPHX1

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 EPHX2 1271/4885SMN1; SMN2 4214/4885GAA 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.