SCHEMBL13467945

SCHEMBL13467945

CCOC(=O)CC1(N)COC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TRPA1 O75762 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.34
ELANE P08246 1/20 0.33
RECQL P46063 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
SCHEMBL27973266 0.85 TSHR (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15002370 0.82
SCHEMBL423542 0.82 TP53 (0.37) GAAMGAMSIMGAM2TSHR
SCHEMBL2595628 0.82 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16276877 0.81 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16268204 0.81 TSHR (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15231719 0.80 L3MBTL1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20898218 0.80 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20855694 0.79 CYP1A2 (0.40) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL16268518 0.79 TSHR (0.42) GAAMGAMSIMGAM2ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150989-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-05-18 US disclosed
EP-2800745-B1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-02-12 EP disclosed
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
EP-3357918-A1 NOVEL PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2018-08-08 EP disclosed
EP-2928881-B1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-03-14 EP disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP disclosed
EP-3118189-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA Phenex Pharmaceuticals AG (DE) 2017-01-18 EP disclosed
US-9522886-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-12-20 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP disclosed
WO-2014086705-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2013079223-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORϒ, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2013-06-06 WO disclosed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO disclosed
WO-2012139892-A1 SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
WO-2012139890-A1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 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 (4 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC GAA 3972/4885MGAM 4613/4885SI 2775/4885
US-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 GAA 223/4885MGAM 22/4885SI 1461/4885
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES CNR2, CNR1, GPR174 GAA 4796/4885MGAM 4853/4885SI 4784/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC GAA 2879/4885MGAM 4038/4885SI 1584/4885

“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.