SCHEMBL8294063

SCHEMBL8294063

CCOCCCN1CC(C(=O)O)CC1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 2/20 0.53
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL8294071 0.91 POLB (0.55) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15082401 0.90 POLB (0.53) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15082397 0.88 L3MBTL1 (0.51) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1280029 0.86 POLB (0.50) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8294064 0.85 POLB (0.55) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15082390 0.84 POLB (0.48) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2892450 0.83 L3MBTL1 (0.60) CYP2C19RECQLKMT2APOLBSMN1; SMN2
SCHEMBL8293341 0.83 L3MBTL1 (0.60) CYP2C19RECQLKMT2APOLBSMN1; SMN2
SCHEMBL8292876 0.82 POLB (0.58) CYP2C19KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL15082388 0.82 POLB (0.58) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
WO-2005014540-A1 CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION (US) 2005-02-17 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-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT BACE1, BACE2, PSEN1 CYP2C19 1381/4885CYP1A2 1450/4885CYP3A4 1059/4885

“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.