SCHEMBL3329418

SCHEMBL3329418

COc1nc(N2CCC(C(=O)O)CC2)c(C#N)cc1C(=O)OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.49
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C9 P11712 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 2/20 0.44
CHRM2 P08172 1/20 0.44
DRD3 P35462 1/20 0.44
USP2 O75604 1/20 0.41

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
SCHEMBL4099899 0.89 KMT2A (0.57) P2RY12KDM4EKMT2AALDH1A1MEN1
SCHEMBL3326387 0.88 ALDH1A1 (0.47) P2RY12KDM4EKMT2AALDH1A1MEN1
SCHEMBL3328653 0.88 P2RY12 (0.45) P2RY12KDM4EKMT2AALDH1A1MEN1
SCHEMBL3328020 0.86 P2RY12 (0.57) P2RY12KDM4EKMT2AALDH1A1MEN1
SCHEMBL3225595 0.85 P2RY12 (0.52) P2RY12KDM4EKMT2AALDH1A1MEN1
SCHEMBL3329682 0.82 P2RY12 (0.49) P2RY12KDM4EKMT2AALDH1A1MEN1
SCHEMBL3232612 0.82 P2RY12 (0.69) P2RY12KDM4EKMT2AALDH1A1MAPK1
SCHEMBL3324437 0.82 P2RY12 (0.77) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4881773 0.80 KDM4E (0.72) P2RY12KDM4EKMT2AALDH1A1MEN1
SCHEMBL4782522 0.80 P2RY12 (0.42) P2RY12KDM4EKMT2AALDH1A1MEN1

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-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 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 (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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 P2RY12 1/4885KDM4E 3186/4885KMT2A 4487/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 P2RY12 1/4885KDM4E 4200/4885KMT2A 4675/4885

“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.