SCHEMBL14977017

SCHEMBL14977017

O=C(OCc1ccc(-c2ccccc2)cc1)n1ccccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NAAA Q02083 6/20 0.43
EPHX1 P07099 1/20 0.43
CTRB1 P17538 1/20 0.42
P2RX4 Q99571 2/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR1 O14842 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40

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
SCHEMBL16058377 0.89 POLB (0.41) NPC1RAB9ANAAACTRB1MEN1
SCHEMBL16056805 0.88 CTRB1 (0.45) NPC1RAB9ACTRB1P2RX4GAA
SCHEMBL16058188 0.87 MMP1 (0.51) NPC1RAB9ANAAACTRB1AGXT
SCHEMBL16057639 0.87 NAAA (0.50) NAAALMNAKMT2A
SCHEMBL16057504 0.87 PPARG (0.42) NPC1RAB9ANAAAP2RX4FFAR1
SCHEMBL14977318 0.87 MGLL (0.46) TSHRIDO1FFAR1MMP1MMP12
SCHEMBL16057153 0.86 ALDH1A1 (0.46) NPC1RAB9ACTRB1P2RX4LMNA
SCHEMBL14977094 0.86 CYP2E1 (0.37) P2RX3
SCHEMBL16056361 0.85 APP (0.39) NPC1RAB9ACTRB1P2RX4GAA
SCHEMBL16058385 0.85 P2RX4 (0.52) NPC1RAB9ANAAAP2RX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 US disclosed
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
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 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
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO 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 (3 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 NPC1 403/4885RAB9A 1289/4885NAAA 1/4885
US-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) NAAA, FAAH, FAAH2 NPC1 331/4885RAB9A 2343/4885NAAA 1/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 NPC1 331/4885RAB9A 2343/4885NAAA 1/4885

“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.