SCHEMBL425375

SCHEMBL425375

O=C(NC1CCC1=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.56
NAAA Q02083 1/20 0.55
TLR4 O00206 1/20 0.55
EPHX1 P07099 1/20 0.52
CTSK P43235 3/20 0.50
CPB1 P15086 2/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.48
PREP P48147 2/20 0.48

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
SCHEMBL18029925 0.92 ALDH1A1 (0.56) ALDH1A1GAATSHRNAAATLR4
SCHEMBL4639581 0.92 ALDH1A1 (0.56) ALDH1A1GAATSHRNAAATLR4
SCHEMBL14534711 0.90 EPHX1 (0.59) ALDH1A1GAATSHRNAAATLR4
SCHEMBL760401 0.90 EPHX1 (0.59) ALDH1A1GAATSHRNAAATLR4
SCHEMBL1718075 0.88 TLR4 (0.56) ALDH1A1GAATSHRNAAATLR4
SCHEMBL17852685 0.82 CTSL (0.53) ALDH1A1GAATSHRNAAATLR4
SCHEMBL10737701 0.82 ALDH1A1 (0.52) ALDH1A1GAATSHRNAAATLR4
SCHEMBL2222847 0.82 CTSL (0.53) ALDH1A1GAATSHRNAAATLR4
SCHEMBL6794132 0.82 ALDH1A1 (0.52) ALDH1A1GAATSHRNAAATLR4
SCHEMBL632914 0.82 CRBN (0.60) ALDH1A1GAATSHRNAAACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-10363237-B2 Compositions and methods of inhibiting N-acylethanolamine-hydrolyzing acid amidase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-30 US disclosed
US-20160256432-A1 COMPOSITIONS AND METHODS OF INHIBITING N-ACYLETHANOLAMINE-HYDROLYZING ACID AMIDASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-09-08 US disclosed
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 EP disclosed
US-8404673-B2 Carbocyclic GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404673-B2 Carbocyclic GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
EP-2470498-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-07-04 EP disclosed
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS KOLCZEWSKI SABINE (DE) 2012-01-26 US disclosed
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS KOLCZEWSKI SABINE (DE) 2012-01-26 US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
WO-2011023667-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
WO-2011023667-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 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 (5 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-10363237-B2 Compositions and methods of inhibiting N-acylethanolamine-hydrolyzing acid amidase NAAA, NAPEPLD, FAAH ALDH1A1 2494/4885GAA 300/4885TSHR 3903/4885
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 ALDH1A1 1488/4885GAA 1010/4885TSHR 1810/4885
US-20160256432-A1 COMPOSITIONS AND METHODS OF INHIBITING N-ACYLETHANOLAMINE-HYDROLYZING ACID AMIDASE NAAA, NAPEPLD, FAAH ALDH1A1 2494/4885GAA 300/4885TSHR 3903/4885
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 ALDH1A1 1488/4885GAA 1010/4885TSHR 1810/4885
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 4024/4885GAA 1041/4885TSHR 1924/4885

“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.