SCHEMBL4881192

SCHEMBL4881192

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 12/20 0.48
OPRK1 P41145 5/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
OPRM1 P35372 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
SCHEMBL4876930 0.85 P2RY12 (0.49) P2RY12OPRK1CYP3A4CYP2C9KDM4E
SCHEMBL4878784 0.85 P2RY12 (0.45) P2RY12OPRK1CYP3A4CYP2C9OPRM1
SCHEMBL3221673 0.82 P2RY12 (0.69) P2RY12CYP3A4CYP2C9KDM4EHSD17B10
SCHEMBL5592386 0.77 P2RY12 (0.63) P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL5014112 0.77 P2RY12 (0.63) P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL5014008 0.76 P2RY12 (0.62) P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL3328558 0.75 P2RY12 (0.56) P2RY12CYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL4881142 0.74 MEN1 (0.45) P2RY12OPRK1KDM4EALDH1A1TSHR
SCHEMBL30999839 0.74 P2RY12 (0.65) P2RY12CYP3A4CYP2C9
SCHEMBL29258844 0.74 P2RY12 (0.65) 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.