SCHEMBL4739435

SCHEMBL4739435

CCOC(=O)c1cc(Cl)c(N2CCC(C(=O)O)CC2)nc1SCCNC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
OPRK1 P41145 5/20 0.38
P2RY12 Q9H244 9/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 2/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL4738012 0.89 MAPT (0.39) OPRK1P2RY12MAPTKDM4EHSD17B10
SCHEMBL4887321 0.85 P2RY12 (0.58) P2RY12CYP2C9CHRM2CYP3A4DRD3
SCHEMBL3328130 0.84 MEN1 (0.44) OPRK1P2RY12MAPTCYP2C9CHRM2
SCHEMBL4883732 0.83 P2RY12 (0.53) P2RY12CYP2C9CHRM2CYP3A4DRD3
SCHEMBL4880160 0.80 OPRK1 (0.53) OPRK1P2RY12MAPTCYP2C9CHRM2
SCHEMBL4737210 0.74 P2RY12 (0.74) P2RY12CYP2C9CHRM2CYP3A4DRD3
SCHEMBL4742022 0.73 OPRK1 (0.39) OPRK1P2RY12MAPTCYP2C9CHRM2
SCHEMBL3326910 0.73 MAPT (0.44) OPRK1P2RY12MAPTKDM4ENPSR1
SCHEMBL4740664 0.71 P2RY12 (0.53) P2RY12MAPTCYP2C9CHRM2CYP3A4
SCHEMBL3327146 0.70 P2RY12 (0.65) P2RY12CYP2C9CHRM2CYP3A4DRD3

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 HSD11B1 4625/4885OPRK1 1096/4885P2RY12 1/4885

“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.