SCHEMBL14975040

SCHEMBL14975040

O=C(O)n1cccc(C2CCCCC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.43
▸ KMO O15229 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ ATM Q13315 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CEL P19835 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ PTGDR Q13258 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ CAMKK1 Q8N5S9 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL17984567 0.79 FAAH (0.44) MEN1KMT2AGAA
SCHEMBL17556896 0.79 FAAH (0.44) MEN1KMT2AGAA
SCHEMBL14974479 0.79 CHRNB2 (0.35) ALDH1A1HPGD
SCHEMBL14975378 0.78 MEN1 (0.52) MEN1KMT2A
SCHEMBL16056640 0.77 PTGS2 (0.40) PTGDR2ATMMEN1KMT2AALDH1A1
SCHEMBL16058140 0.73 HAO1 (0.39) KMONAAA
Bicarbonate SCHEMBL27568235 0.73 PTGDR2 (0.59) PTGDR2KMOMEN1KMT2AALDH1A1
SCHEMBL17556981 0.72 APP (0.41) KMOKMT2AALDH1A1KDM4ENAAA
SCHEMBL17556949 0.72 APP (0.41) KMOKMT2AALDH1A1KDM4ENAAA
Hydrogen Peroxide SCHEMBL3679819 0.70 PTGDR2 (0.55) PTGDR2KMOMEN1KMT2ACEL

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 PTGDR2 1173/4885KMO 1919/4885CNR1 117/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 PTGDR2 1173/4885KMO 1919/4885CNR1 117/4885

“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.

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