SCHEMBL2582899

SCHEMBL2582899

CC(C)(C)OC(=O)N1CCC(Cn2c(=O)sc3cc(-c4ccccc4C#N)ccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.53
RET P07949 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
KDM1A O60341 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
PIK3R3 Q92569 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
HPGDS O60760 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
CETP P11597 1/20 0.37

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
SCHEMBL15467830 0.87 KDM1A (0.41) GPR119KDM1A
SCHEMBL14673638 0.86 SMN1; SMN2 (0.42) GPR119KDM1A
SCHEMBL2594072 0.84 OXTR (0.38) KDM1A
SCHEMBL2585570 0.82 CNR2 (0.37) KDM1A
SCHEMBL7712492 0.80 FPR2 (0.49) GPR119KDM4EPKMPIK3CA
SCHEMBL2583534 0.79 CYP1A2 (0.36) KDM4EKDM1A
SCHEMBL7714279 0.75 GRM2 (0.48) KDM1A
SCHEMBL14673513 0.73 NR3C1 (0.36) KDM1A
SCHEMBL2587714 0.72 TP53 (0.45)
SCHEMBL2595126 0.72 ABL1 (0.43) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952005-B2 Substituted 1,3-benzothiazol-2(3H)-ones and [1,3]thiazolo[5,4-B]pyridin-2(1H)-ones as positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-8952005-B2 Substituted 1,3-benzothiazol-2(3H)-ones and [1,3]thiazolo[5,4-B]pyridin-2(1H)-ones as positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-8952005-B2 Substituted 1,3-benzothiazol-2(3H)-ones and [1,3]thiazolo[5,4-B]pyridin-2(1H)-ones as positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-20140045829-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
US-20140045829-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
US-20140045829-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
EP-2563143-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-03-06 EP disclosed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 US disclosed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 US disclosed
US-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 MERCK SHARP & DOHME CORP. 2013-02-07 US disclosed
WO-2011137046-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO disclosed
WO-2011137046-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-11-03 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 (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-20130035332-A1 Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIK2 GPR119 51/4885RET 581/4885KDM4E 2559/4885
US-20140045829-A1 SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRM1, GRM3 GPR119 77/4885RET 799/4885KDM4E 2563/4885

“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.