SCHEMBL4736352

SCHEMBL4736352

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)O)C(C)C2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.58
CYP2C9 P11712 4/20 0.56
CYP3A4 P08684 3/20 0.56
CHRM2 P08172 1/20 0.56
DRD3 P35462 1/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 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
SCHEMBL29258844 0.87 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL30999839 0.87 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4115190 0.85 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4737910 0.84 P2RY12 (0.80) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4740662 0.83 P2RY12 (0.59) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3221673 0.83 P2RY12 (0.69) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL18994740 0.82 P2RY12 (0.50) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3934955 0.81 P2RY12 (0.63) P2RY12CYP2C9CYP3A4CHRM2DRD3
Hydrochloric Acid SCHEMBL4105657 0.81 P2RY12 (0.62) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4740864 0.80 P2RY12 (0.56) P2RY12CYP2C9CYP3A4CHRM2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008085118-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 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-20080176827-A1 New Pyridine Analogues VII 543 P2RY12, P2RY11, P2RY4 P2RY12 1/4885CYP2C9 387/4885CYP3A4 254/4885

“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.