SCHEMBL4740254

SCHEMBL4740254

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE3B Q13370 5/20 0.38
PDE3A Q14432 5/20 0.38
KMT2A Q03164 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ACACB O00763 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
MAPK1 P28482 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
SCHEMBL4740581 0.89 PDE3B (0.41) RAB9AKDM4ECYP1A2CYP2C19PDE3B
SCHEMBL3929979 0.78 BDKRB1 (0.41) RAB9AKDM4ECYP1A2CYP2C19KMT2A
SCHEMBL4738082 0.78 CYP4F2 (0.50) KDM4EMAOBKMT2AALDH1A1MAPT
SCHEMBL3932256 0.77 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1MAPTNPSR1
SCHEMBL4742022 0.77 OPRK1 (0.39) KDM4EPDE3BPDE3AKMT2AALDH1A1
SCHEMBL4740341 0.75 RAB9A (0.39) RAB9AALDH1A1ACACBSMN1; SMN2MAPK1
SCHEMBL4739459 0.74 KDM4E (0.46) KDM4EKMT2AALDH1A1MAPTNPSR1
SCHEMBL4892954 0.73 MAPT (0.39) RAB9AKDM4EPDE3BPDE3AKMT2A
SCHEMBL4740342 0.73 OPRK1 (0.39) KDM4EKMT2AALDH1A1MAPTNPSR1
SCHEMBL2704348 0.72 ALDH1A1 (0.55) KDM4EMAOBKMT2AALDH1A1MAPT

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 2469/4885KDM4E 2864/4885MAOB 1808/4885

“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.