SCHEMBL4892954

SCHEMBL4892954

CCOC(=O)c1cc(Cl)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1CN1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 2/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRM1 P35372 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 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
SCHEMBL4165173 0.92 OPRK1 (0.35) MAPTALDH1A1KDM4ELMNAOPRK1
SCHEMBL4171799 0.90 ALDH1A1 (0.38) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL4171958 0.90 MAPK1 (0.35) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL4742022 0.90 OPRK1 (0.39) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL4805982 0.89 OPRK1 (0.35) MAPTKMT2ALMNAOPRK1
SCHEMBL4169013 0.89 RORC (0.34) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL4179105 0.89 P2RY12 (0.34) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL4172207 0.88 P2RY12 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4183735 0.87 MAPT (0.33) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL4166527 0.86 ALDH1A1 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A

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 1 patent. 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

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 MAPT 4725/4885ALDH1A1 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.