SCHEMBL4740342

SCHEMBL4740342

CCOC(=O)c1cc(F)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
P2RY12 Q9H244 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CHRM2 P08172 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4171799 0.90 ALDH1A1 (0.38) OPRK1ALDH1A1NPC1P2RY12CYP3A4
SCHEMBL4742022 0.89 OPRK1 (0.39) OPRK1ALDH1A1NPC1P2RY12CYP3A4
SCHEMBL4737225 0.87 ALDH1A1 (0.51) ALDH1A1P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL4018373 0.87 KDM4E (0.36) ALDH1A1KDM4EHPGDUSP2NPSR1
SCHEMBL3932600 0.86 P2RY12 (0.40) ALDH1A1P2RY12CYP2C9KDM4EHPGD
SCHEMBL4737254 0.85 P2RY12 (0.58) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4740601 0.84 ALDH1A1 (0.53) ALDH1A1P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL4168036 0.80 ALDH1A1 (0.33) ALDH1A1NPC1CYP2C9KDM4EHPGD
SCHEMBL4892954 0.79 MAPT (0.39) OPRK1ALDH1A1NPC1P2RY12KDM4E
SCHEMBL4852691 0.79 P2RY12 (0.52) P2RY12CYP3A4CYP2C9CHRM2DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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 OPRK1 1096/4885ALDH1A1 2394/4885NPC1 3540/4885

“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.