SCHEMBL926701

SCHEMBL926701

O=C(O)C1CCC(=O)N(C2CCCC2)C1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
GAA P10253 1/20 0.70
KMT2A Q03164 6/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL15878587 0.88 POLB (0.63) POLBGAAKMT2ARAB9ANPC1
SCHEMBL15878586 0.88 POLB (0.63) POLBGAAKMT2ARAB9ANPC1
SCHEMBL15878585 0.88 POLB (0.63) POLBGAAKMT2ARAB9ANPC1
SCHEMBL15894490 0.88 POLB (0.63) POLBGAAKMT2ARAB9ANPC1
SCHEMBL23236621 0.87 POLB (0.57) POLBGAAKMT2ARAB9ANPC1
SCHEMBL15878151 0.87 POLB (0.57) POLBGAAKMT2ARAB9ANPC1
SCHEMBL15878150 0.87 POLB (0.57) POLBGAAKMT2ARAB9ANPC1
SCHEMBL15878149 0.87 POLB (0.57) POLBGAAKMT2ARAB9ANPC1
SCHEMBL15877734 0.87 POLB (0.57) POLBGAAKMT2ARAB9ANPC1
SCHEMBL891915 0.82 POLB (1.00) POLBGAAKMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP POLB 2226/4885GAA 44/4885KMT2A 3113/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP POLB 2226/4885GAA 44/4885KMT2A 3113/4885

“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.