SCHEMBL14974562

SCHEMBL14974562

CC1(OC(=O)Oc2ccc([N+](=O)[O-])cc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ HTR2A P28223 1/20 0.48
▸ BCL9 O00512 1/20 0.48
▸ CTNNB1 P35222 1/20 0.48
▸ THRB P10828 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL3373334 0.99 GAA (0.51) GAAHTR2ABCL9CTNNB1THRB
SCHEMBL288509 0.96 GAA (0.51) GAAHTR2ABCL9CTNNB1THRB
SCHEMBL287764 0.93 GAA (0.54) GAAHTR2ABCL9CTNNB1THRB
SCHEMBL14975215 0.86 GAA (0.48) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL15232712 0.83 GAA (0.50) GAAHTR2ABCL9CTNNB1THRB
SCHEMBL28577545 0.83 THRB (0.45) GAAHTR2ABCL9CTNNB1THRB
SCHEMBL29716297 0.82 BCL9 (0.51) GAAHTR2ABCL9CTNNB1THRB
SCHEMBL13883549 0.82 LMNA (0.46) GAACYP1A2ALDH1A1KMT2APOLB
SCHEMBL29880603 0.81 ALDH1A1 (0.48) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL3373666 0.80 GAA (0.43) GAAHTR2ABCL9CTNNB1THRB

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 GAA 246/4885HTR2A 768/4885BCL9 3454/4885
US-20160235707-A1 DISUBSTITUTED BETA-LACTONES AS INHIBITORS OF N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) NAAA, FAAH, FAAH2 GAA 246/4885HTR2A 768/4885BCL9 3454/4885

“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.

Send feedback