SCHEMBL4099776

SCHEMBL4099776

Cc1nc(N2CCC(C(=O)OC(C)(C)C)CC2)c(C#N)cc1C(=O)OCC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 13/20 0.54
CYP2C9 P11712 5/20 0.53
CYP3A4 P08684 3/20 0.53
CHRM2 P08172 1/20 0.53
DRD3 P35462 1/20 0.53
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3208916 0.93 P2RY12 (0.62) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4103245 0.90 P2RY12 (0.59) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4411638 0.88 P2RY12 (0.53) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3220034 0.86 ALDH1A1 (0.53) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3226385 0.85 ALDH1A1 (0.52) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3231241 0.84 P2RY12 (0.60) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4115398 0.83 P2RY12 (0.61) P2RY12CYP2C9CYP3A4KDM4EHSD17B10
SCHEMBL3226916 0.83 ALDH1A1 (0.55) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4877269 0.82 P2RY12 (0.57) P2RY12CYP2C9CYP3A4KDM4EKMT2A
SCHEMBL4737008 0.81 P2RY12 (0.58) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
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
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (3 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP2C9 853/4885CYP3A4 801/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885CYP2C9 453/4885CYP3A4 324/4885
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.