SCHEMBL3614064

SCHEMBL3614064

CC(C)(C)OC(=O)N1[C@@H](CNCc2ccccc2)COC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD11B2 P80365 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ATM Q13315 1/20 0.40
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
NAMPT P43490 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13110173 1.00 KEAP1 (0.41) KEAP1NFE2L2HSD11B2KDM4EPKM
SCHEMBL3614066 1.00 KEAP1 (0.41) KEAP1NFE2L2HSD11B2KDM4EPKM
SCHEMBL14692070 0.85 TSHR (0.41) PKMTSHRBCHE
SCHEMBL14691884 0.85 TSHR (0.41) PKMTSHRBCHE
SCHEMBL2078385 0.84 HSD11B2 (0.42) KEAP1NFE2L2HSD11B2KDM4EPKM
SCHEMBL2078387 0.84 HSD11B2 (0.42) KEAP1NFE2L2HSD11B2KDM4EPKM
SCHEMBL2080856 0.84 HSD11B2 (0.42) KEAP1NFE2L2HSD11B2KDM4EPKM
SCHEMBL6719418 0.83 GPR119 (0.38) HSD11B2KDM4EPKMSPHK1ATM
SCHEMBL4444035 0.83 SIGMAR1 (0.42) HSD11B2KDM4EPKMSPHK1ATM
SCHEMBL14350826 0.83 SPHK1 (0.42) KEAP1NFE2L2HSD11B2KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940433-A Quinoline furan derivative and application thereof 瑞石生物医药有限公司 2024-04-26 CN disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
WO-2023025298-A1 QUINOLINOFURAN DERIVATIVE AND USE THEREOF 瑞石生物医药有限公司 2023-03-02 WO disclosed
WO-2023025298-A1 QUINOLINOFURAN DERIVATIVE AND USE THEREOF 瑞石生物医药有限公司 2023-03-02 WO disclosed
CN-103717589-B For treating or prevent the compound of respiratory syncytial virus disease 弗·哈夫曼-拉罗切有限公司 2016-08-17 CN disclosed
EP-2742039-B1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R KEAP1 2690/4885NFE2L2 1290/4885HSD11B2 919/4885
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE CFTR, H1-10, RECQL KEAP1 3757/4885NFE2L2 3708/4885HSD11B2 1061/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R KEAP1 2703/4885NFE2L2 1127/4885HSD11B2 801/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R KEAP1 2690/4885NFE2L2 1290/4885HSD11B2 919/4885

“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.