SCHEMBL12039748

SCHEMBL12039748

CC(C)CCN1CCC[C@H]1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
OPRK1 P41145 1/20 0.34
GBA1 P04062 1/20 0.33
SLC6A1 P30531 4/20 0.32
SLC6A9 P48067 1/20 0.32
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
HSD11B1 P28845 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
SCHEMBL13416594 0.82 HRH3 (0.39) HRH3GBA1
SCHEMBL9891853 0.82 HRH3 (0.39) HRH3GBA1
SCHEMBL14472558 0.80 HRH3 (0.39) HRH3SLC6A1SLC6A9CHRNB4CHRNA3
SCHEMBL18198556 0.80 HRH3 (0.39) HRH3SLC6A1SLC6A9CHRNB4CHRNA3
SCHEMBL12041238 0.80 HRH3 (0.39) HRH3SLC6A1SLC6A9CHRNB4CHRNA3
SCHEMBL13416610 0.79 SLC6A9 (0.38) HRH3SLC6A9
SCHEMBL18199163 0.79 SLC6A9 (0.38) HRH3SLC6A9
SCHEMBL21232428 0.78 HRH3 (0.46) HRH3
SCHEMBL441538 0.78 HRH3 (0.46) HRH3
SCHEMBL24272734 0.77 GBA1 (0.40) HRH3GBA1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HRH3 1089/4885OPRK1 113/4885GBA1 1143/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 HRH3 1089/4885OPRK1 113/4885GBA1 1143/4885

“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.