SCHEMBL952551

SCHEMBL952551

O=C(NC1CCC1)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
MAPK1 P28482 1/20 0.65
CTRB1 P17538 1/20 0.64
CTSK P43235 2/20 0.63
KLK7 P49862 1/20 0.63
NPSR1 Q6W5P4 1/20 0.62
TSHR P16473 3/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 1/20 0.61
GFER P55789 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 2/20 0.59
KDM1A O60341 1/20 0.59
RCOR1 Q9UKL0 1/20 0.59
CTSB P07858 1/20 0.59
CTSS P25774 1/20 0.59
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL952552 1.00 KDM4E (0.65) KDM4EMAPK1CTRB1CTSKKLK7
SCHEMBL7122532 0.96 CTRB1 (0.65) KDM4EMAPK1CTRB1CTSKKLK7
SCHEMBL7126774 0.96 CTRB1 (0.65) KDM4EMAPK1CTRB1CTSKKLK7
SCHEMBL7122529 0.96 CTRB1 (0.65) KDM4EMAPK1CTRB1CTSKKLK7
SCHEMBL8428146 0.85 NPSR1 (0.68) KDM4ECTRB1CTSKNPSR1TSHR
SCHEMBL6317971 0.85 CTRB1 (0.66) KDM4ECTRB1CTSKNPSR1TSHR
SCHEMBL8426716 0.85 NPSR1 (0.68) KDM4ECTRB1CTSKNPSR1TSHR
SCHEMBL26477642 0.85 NPSR1 (0.68) KDM4ECTRB1CTSKNPSR1TSHR
SCHEMBL4758726 0.85 CTRB1 (0.66) KDM4ECTRB1CTSKNPSR1TSHR
SCHEMBL953206 0.84 KMT2A (0.69) KDM4ECTRB1NPSR1TSHRKMT2A

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 KDM4E 2827/4885MAPK1 1240/4885CTRB1 563/4885

“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.