SCHEMBL3329147

SCHEMBL3329147

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 15/20 0.56
CYP2C9 P11712 5/20 0.55
CYP3A4 P08684 3/20 0.55
CHRM2 P08172 1/20 0.55
DRD3 P35462 1/20 0.55
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3223465 0.91 P2RY12 (0.53) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3328020 0.86 P2RY12 (0.57) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3599232 0.84 ALDH1A1 (0.74) P2RY12ALDH1A1KDM4E
SCHEMBL3328139 0.84 P2RY12 (0.51) P2RY12CYP2C9CYP3A4ALDH1A1
SCHEMBL4115190 0.83 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4883687 0.82 P2RY12 (0.53) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3581873 0.82 P2RY12 (0.56) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3326921 0.81 P2RY12 (0.54) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4738835 0.81 P2RY12 (0.58) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3585342 0.81 P2RY12 (0.56) 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 6 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-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US 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
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 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 (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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP2C9 114/4885CYP3A4 451/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 P2RY12 1/4885CYP2C9 759/4885CYP3A4 1977/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP2C9 964/4885CYP3A4 1113/4885

“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.