SCHEMBL4741483

SCHEMBL4741483

COC(=O)c1cc(Cl)c(N2CCC(C(=O)O)CC2)nc1CN1CCCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.38
MALT1 Q9UDY8 1/20 0.37
KMT2A Q03164 2/20 0.36
PTGDR Q13258 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE5A O76074 1/20 0.35
NEK2 P51955 1/20 0.35
P2RX7 Q99572 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
UBE2N P61088 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4805982 0.90 OPRK1 (0.35) OPRK1MALT1KMT2AUBE2N
SCHEMBL4742022 0.88 OPRK1 (0.39) OPRK1KMT2AKDM4EUSP2HPGD
SCHEMBL4165173 0.87 OPRK1 (0.35) OPRK1MALT1KDM4EHPGDHSD17B10
SCHEMBL4850837 0.85 P2RY12 (0.49)
SCHEMBL4172553 0.85 NOTUM (0.36) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL3941725 0.83 P2RY12 (0.39) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL4740341 0.82 RAB9A (0.39) SMN1; SMN2L3MBTL1
SCHEMBL4164145 0.82 MPL (0.37) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL4170288 0.81 P2RX7 (0.38) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL4179572 0.80 P2RX7 (0.37) P2RX7

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 1096/4885MALT1 4363/4885KMT2A 4239/4885

“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.