Sugi Predict

Sugi Predict / Compounds / SCHEMBL12039770

SCHEMBL12039770

SCHEMBL12039770

CC(C)CCN1CCCC1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ SLC6A9 P48067 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ S1PR5 Q9H228 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL12039774 0.94 SLC7A5 (0.41) HRH3SLC7A5MAPTSLC6A9ALDH1A1
SCHEMBL20756342 0.85 HTT (0.34) SLC7A5MAPTHTTL3MBTL1ALDH1A1
SCHEMBL20755956 0.85 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1TSHR
SCHEMBL13995203 0.83 SPHK1 (0.46) MAPTHTTL3MBTL1SPHK1LMNA
SCHEMBL17834068 0.83 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1SPHK1
SCHEMBL24577733 0.83 HRH3 (0.41) HRH3MAPTSLC6A9HTTL3MBTL1
SCHEMBL3086879 0.83 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1SPHK1
SCHEMBL23686000 0.83 HRH3 (0.41) HRH3MAPTSLC6A9HTTL3MBTL1
SCHEMBL12621129 0.83 HRH3 (0.41) HRH3SLC6A9HTTL3MBTL1SPHK1
SCHEMBL6961891 0.83 HRH3 (0.41) HRH3MAPTSLC6A9HTTL3MBTL1

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 4 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-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 (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 HRH3 1089/4885SLC7A5 308/4885MAPT 298/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 HRH3 1089/4885SLC7A5 308/4885MAPT 298/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 HRH3 1089/4885SLC7A5 308/4885MAPT 298/4885

“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.