SCHEMBL4886882

SCHEMBL4886882

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1O[C@@H](C)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 13/20 0.48
CYP2C9 P11712 5/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 3/20 0.47
CHRM2 P08172 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45

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
SCHEMBL4883687 0.89 P2RY12 (0.53) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1
SCHEMBL3226916 0.89 ALDH1A1 (0.55) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1
SCHEMBL3208916 0.86 P2RY12 (0.62) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1
SCHEMBL3223465 0.84 P2RY12 (0.53) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1
SCHEMBL4738057 0.84 P2RY12 (0.47) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1
SCHEMBL4786928 0.81 P2RY12 (0.44) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1
SCHEMBL3328653 0.80 P2RY12 (0.45) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1
SCHEMBL4786405 0.80 P2RY12 (0.48) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1
SCHEMBL3328353 0.80 P2RY12 (0.50) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1
SCHEMBL3326567 0.80 P2RY12 (0.50) P2RY12CYP2C9ALDH1A1KDM4EL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US 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-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 P2RY12 1/4885CYP2C9 759/4885ALDH1A1 2394/4885

“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.