SCHEMBL2043937

SCHEMBL2043937

O=C1CCC(OS(=O)(=O)c2ccccc2)CN1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 3/20 0.41
CRBN Q96SW2 6/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DDB1 Q16531 3/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR6 P50406 1/20 0.33
CYP2D6 P10635 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
SCHEMBL2040100 0.87 GLA (0.46) CRBNMAPK1MAPTALDH1A1KDM4E
SCHEMBL10596653 0.85 CYP2D6 (0.49) CRBNMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL18840055 0.85 CYP2D6 (0.49) CRBNMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL18840056 0.85 CYP2D6 (0.49) CRBNMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL30170932 0.76 HTR6 (0.44) PARLMAPK1HTR6
SCHEMBL2101080 0.76 MAPK1 (0.50) PARLMAPK1MAPTCYP3A4CYP2C19
SCHEMBL10408638 0.76 MAPK1 (0.50) PARLMAPK1MAPTCYP3A4CYP2C19
SCHEMBL23160446 0.74 CRBN (0.31) CRBN
SCHEMBL29111149 0.74 MAPK1 (0.38) PARLCRBNMAPK1MAPTALDH1A1
SCHEMBL14778509 0.73 MAPK1 (0.47) PARLMAPK1MAPTCYP3A4CYP2C19

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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US 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
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-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2018-09-18 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-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 (5 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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 PARL 142/4885CRBN 1/4885MAPK1 4362/4885
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 PARL 1198/4885CRBN 1668/4885MAPK1 1459/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 PARL 3119/4885CRBN 3292/4885MAPK1 3153/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 PARL 1198/4885CRBN 1668/4885MAPK1 1459/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 PARL 1198/4885CRBN 1668/4885MAPK1 1459/4885

“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.