SCHEMBL8566723

SCHEMBL8566723

CCOC(=O)C1COc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 2/20 0.40
CASP7 P55210 1/20 0.40
CASP8 Q14790 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL8566682 1.00 TSHR (0.41) TSHRALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL8566683 1.00 TSHR (0.41) TSHRALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL8563625 0.84 BACE1 (0.41) TSHRALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL8563627 0.84 BACE1 (0.41) TSHRALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL8563622 0.84 BACE1 (0.41) TSHRALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL8584722 0.84 TSHR (0.47) TSHRALDH1A1L3MBTL1MAPK1GAA
SCHEMBL22777395 0.82 POLB (0.44) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL26783404 0.81 GAA (0.42) ALDH1A1KDM4ENPSR1HSD17B10CYP1A2
SCHEMBL7302983 0.78 L3MBTL1 (0.47) TSHRALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL28878047 0.77 GAA (0.53) ALDH1A1CYP2C19GAAMEN1KMT2A

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
CN-115260180-B Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-05-28 CN disclosed
CN-115260180-A Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-01 CN disclosed
EP-2686306-B1 BENZO[B][1,4]OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-01-04 EP disclosed
EP-2686306-B1 BENZO[B][1,4]OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-01-04 EP disclosed
US-9464063-B2 Benzo [B] [1,4] oxazin derivatives as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-10-11 US disclosed
US-9464063-B2 Benzo [B] [1,4] oxazin derivatives as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-10-11 US disclosed
US-9464063-B2 Benzo [B] [1,4] oxazin derivatives as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-10-11 US disclosed
US-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-01-16 US disclosed
US-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-01-16 US disclosed
US-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-01-16 US disclosed
WO-2013136288-A1 SUBSTITUTED 3,4-DIHYDRO-2H-BENZO[B] [1,4]OXAZINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-09-19 WO disclosed
US-8344181-B2 Obesity, type 2 diabetes, hyperlipidemia, hypertension, arteriosclerosis, coronary heart diseases JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-01 US disclosed
US-8344181-B2 Obesity, type 2 diabetes, hyperlipidemia, hypertension, arteriosclerosis, coronary heart diseases JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-01 US disclosed
WO-2012127388-A1 BENZO [B] [1, 4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-09-27 WO disclosed
WO-2012127385-A1 BENZO [B] [1, 4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-09-27 WO disclosed
US-20080064693-A1 N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-13 US disclosed
US-20080064693-A1 N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-13 US disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP 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-20080064693-A1 N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 TSHR 357/4885ALDH1A1 410/4885KDM4E 3944/4885
US-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR1, RYR2 TSHR 396/4885ALDH1A1 2490/4885KDM4E 4297/4885

“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.