SCHEMBL4872904

SCHEMBL4872904

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 1.00
CYP2C9 P11712 6/20 1.00
CYP3A4 P08684 4/20 1.00
CHRM2 P08172 1/20 0.74
DRD3 P35462 1/20 0.74

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
SCHEMBL4868952 0.96 P2RY12 (0.92) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4872483 0.95 P2RY12 (0.91) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4880886 0.94 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4878625 0.94 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3223721 0.93 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL5063080 0.93 P2RY12 (0.86) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4877825 0.93 P2RY12 (0.86) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4881295 0.93 P2RY12 (0.86) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4878200 0.92 P2RY12 (0.86) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4874514 0.92 P2RY12 (0.86) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US claimed
US-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 US claimed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 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 (2 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
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP2C9 96/4885CYP3A4 140/4885

“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.