SCHEMBL4171799

SCHEMBL4171799

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 4/20 0.36
MAPT P10636 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
P2RY12 Q9H244 2/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.34
OPRM1 P35372 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4892954 0.90 MAPT (0.39) ALDH1A1NPC1KDM4EKMT2AMEN1
SCHEMBL4168036 0.90 ALDH1A1 (0.33) ALDH1A1NPC1KDM4EKMT2AMEN1
SCHEMBL4740342 0.90 OPRK1 (0.39) ALDH1A1NPC1KDM4EKMT2AMEN1
SCHEMBL4172207 0.88 P2RY12 (0.46) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4176895 0.86 ALDH1A1 (0.32) ALDH1A1NPC1KDM4EKMT2AMEN1
SCHEMBL4166527 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4165173 0.82 OPRK1 (0.35) ALDH1A1KDM4ELMNAOPRK1MAPT
SCHEMBL4169013 0.81 RORC (0.34) ALDH1A1NPC1KDM4EKMT2AMEN1
SCHEMBL4170972 0.81 MAPT (0.48) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4171958 0.80 MAPK1 (0.35) ALDH1A1NPC1KDM4EKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
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 (2 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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 ALDH1A1 1717/4885NPC1 3284/4885KDM4E 3427/4885
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 2394/4885NPC1 3540/4885KDM4E 2864/4885

“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.