SCHEMBL4740341

SCHEMBL4740341

COC(=O)c1cc(Cl)c(Cl)nc1CN1CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BDKRB1 P46663 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KLKB1 P03952 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
F10 P00742 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
SYK P43405 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
ACACB O00763 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
SCHEMBL3929979 0.97 BDKRB1 (0.41) RAB9AL3MBTL1BDKRB1ALDH1A1SMN1; SMN2
SCHEMBL4740581 0.85 PDE3B (0.41) RAB9AL3MBTL1ALDH1A1SMN1; SMN2ACACB
SCHEMBL4741483 0.82 OPRK1 (0.38) L3MBTL1SMN1; SMN2
SCHEMBL4805982 0.78 OPRK1 (0.35)
SCHEMBL4784194 0.77 BDKRB1 (0.38) RAB9AL3MBTL1BDKRB1HRH3ALDH1A1
SCHEMBL4740254 0.75 RAB9A (0.41) RAB9AL3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4165173 0.75 OPRK1 (0.35) BDKRB1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3934824 0.73 GAA (0.43) RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1256116 0.71 L3MBTL1 (0.57) RAB9AL3MBTL1HRH3ALDH1A1SMN1; SMN2
SCHEMBL31167254 0.71 HDAC6 (0.53) RAB9AL3MBTL1BDKRB1ALDH1A1ACACB

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 RAB9A 2469/4885L3MBTL1 4634/4885BDKRB1 65/4885

“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.