SCHEMBL2006083

SCHEMBL2006083

CCOc1ccc(Cl)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP19A1 P11511 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 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
SCHEMBL1568984 0.83 NPC1 (0.46) MAPTALDH1A1KDM4ENPSR1POLB
SCHEMBL3999997 0.82 NPC1 (0.53) MAPTALDH1A1KDM4ENPSR1POLB
Hydrochloric Acid SCHEMBL8983576 0.80 NPC1 (0.51) MAPTALDH1A1KDM4ENPSR1POLB
SCHEMBL3994479 0.80 CYP3A4 (0.49) MAPTALDH1A1NPSR1POLBNPC1
SCHEMBL14382312 0.79 CYP3A4 (0.51) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL12204789 0.79 MAPT (0.41) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL10576854 0.78 RXRA (0.35) MAPTNPC1RAB9ATSHRRXRA
SCHEMBL2608835 0.78 GABRA5 (0.42) HPGDNPC1RAB9ARXRAGRIN1
SCHEMBL26750075 0.78 NUDT1 (0.43) MAPTRXRAGRIN1GRIN2BGABRP
SCHEMBL23182899 0.77 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022056447-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed
EP-3177287-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
EP-3119756-B1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION DOW AGROSCIENCES LLC (US) 2021-04-21 EP disclosed
US-10968193-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
US-20180155324-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION CORTEVA AGRISCIENCE LLC 2018-06-07 US disclosed
US-20170217918-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 US disclosed
EP-3177287-A1 ANTIDIABETIC BICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-06-14 EP disclosed
EP-3004107-B1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-10 EP disclosed
WO-2016022742-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 WO disclosed
WO-2015143192-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION VIAMET PHARMACEUTICALS, INC. (US) 2015-09-24 WO disclosed
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 US 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 (6 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R MAPT 2688/4885ALDH1A1 1050/4885HPGD 1665/4885
US-10968193-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R MAPT 4354/4885ALDH1A1 2872/4885HPGD 2588/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 MAPT 1444/4885ALDH1A1 135/4885HPGD 792/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 MAPT 1193/4885ALDH1A1 4145/4885HPGD 2385/4885
US-20180155324-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION PDXK, PFKFB1, PDGFRA MAPT 2198/4885ALDH1A1 476/4885HPGD 3030/4885
US-20170217918-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GLP1R, GPR65 MAPT 4270/4885ALDH1A1 2819/4885HPGD 2456/4885

“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.