SCHEMBL446302

SCHEMBL446302

COC(=O)C1CCC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ DDB1 Q16531 2/20 0.32

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
SCHEMBL2084350 1.00 CHRM2 (0.36) CHRM2CHRM1CHRM3PTPN1EPHX1
SCHEMBL26112977 0.85 EPHX1 (0.38) CHRM2CHRM1CHRM3PTPN1EPHX1
SCHEMBL26112972 0.85 EPHX1 (0.38) CHRM2CHRM1CHRM3PTPN1EPHX1
SCHEMBL19616822 0.84 HSD17B10 (0.39) CHRM2CHRM1CHRM3EPHX1SPHK1
SCHEMBL1579022 0.84 HSD17B10 (0.39) CHRM2CHRM1CHRM3EPHX1SPHK1
SCHEMBL5142783 0.84 HSD17B10 (0.39) CHRM2CHRM1CHRM3EPHX1SPHK1
SCHEMBL16004574 0.84 MEN1 (0.39) CHRM2CHRM1CHRM3SPHK1NR1H2
SCHEMBL18642678 0.84 MEN1 (0.39) CHRM2CHRM1CHRM3SPHK1NR1H2
SCHEMBL242066 0.83 CHRM2 (0.37) CHRM2CHRM1CHRM3EPHX1SPHK1
SCHEMBL242065 0.83 CHRM2 (0.37) CHRM2CHRM1CHRM3EPHX1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 — — US disclosed
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC. 2020-03-12 — — US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 — — US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 — — US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 — — US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 — — US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 — — US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 — — US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 — — US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 — — US disclosed
US-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 — — US disclosed
US-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 — — US disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 — — US disclosed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 — — WO disclosed
EP-2102157-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-23 — — EP disclosed
WO-2008074703-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — WO disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 — — US disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 — — US disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 — — US disclosed
WO-2006127702-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LIMITED (NZ) 2006-11-30 — — 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 (8 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 CHRM2 562/4885CHRM1 664/4885CHRM3 258/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR CHRM2 1606/4885CHRM1 2340/4885CHRM3 1833/4885
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A CHRM2 4014/4885CHRM1 3813/4885CHRM3 3958/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C CHRM2 297/4885CHRM1 470/4885CHRM3 162/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 CHRM2 562/4885CHRM1 664/4885CHRM3 258/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 CHRM2 562/4885CHRM1 664/4885CHRM3 258/4885
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 CHRM2 562/4885CHRM1 664/4885CHRM3 258/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 CHRM2 562/4885CHRM1 664/4885CHRM3 258/4885

“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.

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