SCHEMBL954965

SCHEMBL954965

CCCCOC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP2C19 P33261 1/20 0.54
ENPP2 Q13822 1/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
HSD11B1 P28845 1/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
TSHR P16473 2/20 0.50
DPP4 P27487 3/20 0.49
KCNH2 Q12809 3/20 0.49
DPP7 Q9UHL4 3/20 0.49
GRIN2B Q13224 2/20 0.49
CYP2D6 P10635 1/20 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
SCHEMBL29727241 0.96 KMT2A (0.60) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL951534 0.94 HSD11B1 (0.60) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL951786 0.89 HSD11B1 (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL30135994 0.88 MEN1 (0.52) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2734467 0.87 HSD11B1 (0.53) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL952100 0.86 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1GAAHSD11B1
SCHEMBL7137790 0.86 SMN1; SMN2 (0.65) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6975151 0.85 KMT2A (0.67) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3333381 0.84 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1GAAHSD11B1
SCHEMBL30135990 0.84 CTSL (0.49) KMT2AMEN1ALDH1A1GAAHSD11B1

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 KMT2A 2872/4885MEN1 2661/4885SMN1; SMN2 4214/4885

“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.