SCHEMBL6922894

SCHEMBL6922894

CC1(C)CCCC(=O)NC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.42
CRBN Q96SW2 5/20 0.41
FKBP5 Q13451 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20374335 0.93 CRBN (0.44) OR51E2CRBNFKBP5SMN1; SMN2HPGD
SCHEMBL249184 0.86
SCHEMBL20374429 0.80 OR51E2 (0.52) OR51E2CRBNFKBP5SMN1; SMN2KDM4E
SCHEMBL24433892 0.80 SMN1; SMN2 (0.48) SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL26338699 0.76 SMN1; SMN2 (0.39) OR51E2CRBNFKBP5SMN1; SMN2HPGD
SCHEMBL25897213 0.74 OR51E2 (0.35) OR51E2CRBNFKBP5SMN1; SMN2KDM4E
SCHEMBL7622387 0.73
SCHEMBL7619206 0.71
SCHEMBL11185616 0.71 CRBN (0.33) OR51E2CRBNFKBP5SMN1; SMN2
SCHEMBL248285 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419971-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-04-20 EP disclosed
WO-2019037860-A1 LINEAR GLYCOSIDASE INHIBITORS Asceneuron S.A. (CH) 2019-02-28 WO disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
WO-2017144639-A1 GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2017144633-A1 GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2017-08-31 WO 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-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-6448286-B1 PREFERENTIALLY INHIBITS OR MODULATES INDUCIBLE OVER CONSTITUTIVE ISOFORM OF NITRIC OXIDE SYNTHASE; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-09-10 US disclosed
US-6071906-A INHIBITS OR MODULATES THE INDUCIBLE ISOFORM OF NITRIC OXIDE SYNTHASE OVER THE THE CONSTITUTIVE ISOFORMS; ANTIARTHRITIC, -DIABETIC, ISCHEMIC, THROMBOSIS AGENTS; CARDIOVASCULAR DISORDERS; TOXIC SHOCK SYNDROME; AUTOIMMUNE DISEASES G. D. SEARLE & CO. (US) 2000-06-06 US disclosed
US-6046211-A TREATMENT OF ARTHRITIS OR INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA (ALLODYNIA), CEREBRAL ISCHEMIA AND OTHER CNS DISORDERS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
EP-0724570-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 1999-03-03 EP disclosed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP disclosed
US-5854234-A Amidino dervatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1998-12-29 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 (3 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 OR51E2 2781/4885CRBN 1668/4885FKBP5 1358/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 OR51E2 2781/4885CRBN 1668/4885FKBP5 1358/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 OR51E2 2781/4885CRBN 1668/4885FKBP5 1358/4885

“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.