SCHEMBL6922202

SCHEMBL6922202

O=C1CCC2(CN1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.36
OR51E2 Q9H255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
FKBP5 Q13451 1/20 0.30

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
SCHEMBL5528579 0.81 CRBN (0.40) CRBNOR51E2ALDH1A1LMNAFKBP5
SCHEMBL3728521 0.77 SMN1; SMN2 (0.41) LMNATP53SMN1; SMN2
SCHEMBL24242233 0.75 CRBN (0.47) CRBNOR51E2ALDH1A1LMNAFKBP5
SCHEMBL2106275 0.74 OPRM1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL31580321 0.72 CRBN (0.35) CRBNOR51E2
SCHEMBL16323338 0.72
SCHEMBL46361 0.69 KMT2A (0.34) ALDH1A1LMNATP53TSHR
SCHEMBL18766523 0.68 CRBN (0.39) CRBNOR51E2SMN1; SMN2FKBP5
SCHEMBL16906277 0.67
Water SCHEMBL31387323 0.67 ALDH1A1 (0.33) ALDH1A1LMNATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CRBN 1668/4885OR51E2 2781/4885ALDH1A1 1721/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CRBN 1668/4885OR51E2 2781/4885ALDH1A1 1721/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CRBN 1668/4885OR51E2 2781/4885ALDH1A1 1721/4885

“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.