SCHEMBL4877258

SCHEMBL4877258

CCOC(=O)c1cc(C(C)=O)c(N2CCC(C(=O)O)CC2)nc1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.59
OPRM1 P35372 1/20 0.54
P2RY12 Q9H244 10/20 0.51
CYP2C9 P11712 5/20 0.49
CYP3A4 P08684 3/20 0.49
CHRM2 P08172 1/20 0.49
DRD3 P35462 1/20 0.49
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 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
SCHEMBL4880160 0.86 OPRK1 (0.53) OPRK1OPRM1P2RY12CYP2C9CYP3A4
SCHEMBL4115190 0.84 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4878165 0.81 P2RY12 (0.78) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL29258844 0.78 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL30999839 0.78 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL18994729 0.76 OPRK1 (0.60) OPRK1OPRM1P2RY12CYP2C9CYP3A4
SCHEMBL5014146 0.75 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4271965 0.74 KDM4E (0.56) OPRK1KDM4EUSP2HPGDNPSR1
SCHEMBL4876930 0.74 P2RY12 (0.49) OPRK1P2RY12CYP2C9CYP3A4KDM4E
SCHEMBL30531237 0.74 KDM4E (0.69) KDM4EHPGDHSD17B10

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 disclosed
CN-101263133-A New pyridine analogues ASTRAZENECA AB (SE) 2008-09-10 CN 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 OPRK1 1862/4885OPRM1 1835/4885P2RY12 1/4885

“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.