SCHEMBL2586953

SCHEMBL2586953

CCOC(=O)N1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
P2RY12 Q9H244 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
PREP P48147 2/20 0.52

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
SCHEMBL11263011 0.91 PREP (0.59) L3MBTL1SMN1; SMN2ALDH1A1GAAPREP
SCHEMBL7159251 0.91 PREP (0.59) L3MBTL1SMN1; SMN2ALDH1A1GAAPREP
SCHEMBL955614 0.90 L3MBTL1 (0.49) L3MBTL1P2RY12SMN1; SMN2NPC1RAB9A
SCHEMBL27795955 0.87 PREP (0.56) L3MBTL1SMN1; SMN2ALDH1A1GAAPREP
SCHEMBL18751212 0.87 SIGMAR1 (0.60) PREP
SCHEMBL3049200 0.87 SIGMAR1 (0.60) PREP
SCHEMBL8253758 0.85 PREP (0.60) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8750837 0.85 PREP (0.60) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18883341 0.85 L3MBTL1 (0.54) L3MBTL1P2RY12SMN1; SMN2NPC1RAB9A
SCHEMBL16466543 0.85 HTT (0.56) L3MBTL1P2RY12SMN1; SMN2NPC1RAB9A

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
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 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-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 L3MBTL1 3765/4885P2RY12 1/4885SMN1; SMN2 3392/4885

“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.