SCHEMBL4740601

SCHEMBL4740601

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1CN1CCCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 5/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
P2RY12 Q9H244 12/20 0.51
CYP2C9 P11712 5/20 0.49
CYP3A4 P08684 3/20 0.49
CHRM2 P08172 1/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4737225 0.97 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL4166527 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL4016492 0.90 P2RY12 (0.45) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL4183510 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL4172207 0.88 P2RY12 (0.46) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL4166675 0.87 P2RY12 (0.53) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL3928108 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL4785356 0.86 P2RY12 (0.42) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL4783800 0.86 P2RY12 (0.59) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL4161313 0.86 P2RY12 (0.45) ALDH1A1KDM4EL3MBTL1HPGDLMNA

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 ALDH1A1 2394/4885KDM4E 2864/4885L3MBTL1 4634/4885

“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.