SCHEMBL4312871

SCHEMBL4312871

CC(C)(C)OC(=O)N1C2CCC1CC(=NO)C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
HSD11B1 P28845 1/20 0.45
PREP P48147 4/20 0.44
GPR119 Q8TDV5 4/20 0.36
JAK1 P23458 2/20 0.36
HPGD P15428 1/20 0.36
HDAC1 Q13547 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30068303 1.00 CHRM2 (0.58) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL17592860 0.94 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL19734273 0.94 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL19728175 0.94 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL17592862 0.94 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL30967988 0.91 CHRM2 (0.53) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL30967979 0.91 CHRM2 (0.53) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL31390583 0.90 CHRM2 (0.54) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL31341776 0.90 CHRM2 (0.54) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL16237474 0.86 CHRM2 (0.46) CHRM2CHRM1CHRM3HSD11B1PREP

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
WO-2022241188-A1 ENANTIOSELECTIVE SYNTHESIS OF AMINOTROPANE COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-17 WO disclosed
EP-2681214-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-22 EP disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8703763-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
EP-2681214-A1 BRIDGED PIPERIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP disclosed
WO-2012116965-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO disclosed
US-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed
US-20090124600-A1 N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
US-20090124600-A1 N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
US-20090124600-A1 N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
EP-1874318-A2 N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006113471-A2 N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2006-10-26 WO disclosed
WO-2006113471-A2 N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2006-10-26 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 CHRM2 567/4885CHRM1 509/4885CHRM3 301/4885
US-20090124600-A1 N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists GRIN2B, GRIN2A, GRIN1 CHRM2 735/4885CHRM1 442/4885CHRM3 1090/4885
US-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES HPGDS, APP, PSEN1 CHRM2 854/4885CHRM1 1042/4885CHRM3 2445/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CHRM2 567/4885CHRM1 509/4885CHRM3 301/4885

“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.