SCHEMBL4878784

SCHEMBL4878784

CCOC(=O)c1cc(OCCCC(=O)OC)c(N2CC(C(=O)O)C2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 14/20 0.45
OPRK1 P41145 6/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
OPRM1 P35372 1/20 0.40

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
SCHEMBL4881192 0.85 P2RY12 (0.48) P2RY12OPRK1CYP3A4CYP2C9OPRM1
SCHEMBL4878028 0.84 P2RY12 (0.68) P2RY12CYP3A4CYP2C9
SCHEMBL4881431 0.83 L3MBTL1 (0.40) P2RY12OPRK1CYP3A4CYP2C9
SCHEMBL4872497 0.78 MAPT (0.48) CYP3A4
SCHEMBL4877517 0.77 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL4876930 0.77 P2RY12 (0.49) P2RY12OPRK1CYP3A4CYP2C9
SCHEMBL4880216 0.76 P2RY12 (0.70) P2RY12CYP3A4CYP2C9
SCHEMBL5140061 0.75 P2RY12 (0.51) P2RY12OPRK1CYP3A4CYP2C9
SCHEMBL3221673 0.74 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL4875454 0.70 P2RY12 (0.71) P2RY12CYP3A4CYP2C9

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-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885OPRK1 1862/4885CYP3A4 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.