SCHEMBL14975138

SCHEMBL14975138

O=C(OCCCCCC1CCCCC1)n1ccccc1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 16/20 0.46
ASAH1 Q13510 2/20 0.46
EPHX1 P07099 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 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
SCHEMBL16057879 0.97 NAAA (0.45) NAAAASAH1EPHX1CHRM2CHRM4
SCHEMBL16057245 0.85 NAAA (0.47) NAAAASAH1CHRM2CHRM4CHRM5
SCHEMBL16058318 0.78 LMNA (0.53) CHRM2
SCHEMBL14975141 0.78 LMNA (0.53) CHRM2
SCHEMBL16058203 0.78 LMNA (0.53) CHRM2
SCHEMBL16057185 0.78 LMNA (0.53) CHRM2
SCHEMBL14977311 0.78 LMNA (0.53) CHRM2
SCHEMBL14977359 0.76 LMNA (0.48) NAAA
SCHEMBL16057865 0.74 ALOX5 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17556958 0.72 MAPT (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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
EP-2782567-B1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) UNIV CALIFORNIA (US) 2017-03-22 EP disclosed
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) FOND ST ITALIANO TECNOLOGIA (IT) 2016-08-18 US disclosed
US-9353075-B2 Disubstituted beta-lactones as inhibitors of N-acylethanolamine acid amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 US disclosed
EP-2782567-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) The Regents of The University of California (US) 2014-10-01 EP disclosed
US-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-24 US disclosed
WO-2013078430-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 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-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) NAAA, FAAH, FAAH2 NAAA 1/4885ASAH1 76/4885EPHX1 73/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 NAAA 1/4885ASAH1 76/4885EPHX1 73/4885

“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.