SCHEMBL4740581

SCHEMBL4740581

CCOC(=O)c1cc(Cl)c(Cl)nc1CN1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
RAB9A P51151 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
ACACB O00763 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 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
SCHEMBL4740254 0.89 RAB9A (0.41) PDE3BPDE3ARAB9ABAZ2BBAZ2A
SCHEMBL3929979 0.89 BDKRB1 (0.41) RAB9ASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL4740341 0.85 RAB9A (0.39) RAB9ASMN1; SMN2ACACBALDH1A1L3MBTL1
SCHEMBL4742022 0.82 OPRK1 (0.39) PDE3BPDE3ALMNAALDH1A1MAPT
SCHEMBL3932256 0.79 ALDH1A1 (0.45) LMNAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL4892954 0.78 MAPT (0.39) PDE3BPDE3ARAB9ASMN1; SMN2LMNA
SCHEMBL4739459 0.76 KDM4E (0.46) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL4783934 0.76 ACACB (0.41) RAB9ABAZ2BBAZ2ASMN1; SMN2LMNA
SCHEMBL4737926 0.75 CYP4F2 (0.55) BAZ2BBAZ2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4740342 0.74 OPRK1 (0.39) LMNAALDH1A1MAPTKDM4EL3MBTL1

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 PDE3B 216/4885PDE3A 338/4885RAB9A 2469/4885

“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.