SCHEMBL4786406

SCHEMBL4786406

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)N(C)c3ccc(F)cc3)CC2)nc1CN1CCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 19/20 0.58
CYP2C9 P11712 7/20 0.58
CYP3A4 P08684 5/20 0.58
CHRM2 P08172 1/20 0.51
DRD3 P35462 1/20 0.51
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4787358 0.94 P2RY12 (0.58) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4786898 0.92 P2RY12 (0.49) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4742008 0.92 P2RY12 (0.57) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4174642 0.91 P2RY12 (0.47) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4183172 0.90 P2RY12 (0.54) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4741411 0.90 P2RY12 (0.45) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4782959 0.90 P2RY12 (0.49) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4172396 0.89 P2RY12 (0.50) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4800874 0.89 P2RY12 (0.60) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4737252 0.88 P2RY12 (0.75) 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 3 patents. 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 claimed
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
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 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-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 759/4885CYP3A4 1977/4885

“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.