SCHEMBL12039733

SCHEMBL12039733

CC(C)CCN(Cc1ccccc1)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.54
OPRK1 P41145 6/20 0.50
OPRM1 P35372 4/20 0.50
OPRD1 P41143 4/20 0.50
AOC3 Q16853 2/20 0.49
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
CNR2 P34972 1/20 0.42
RORC P51449 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL12039805 0.92 OPRK1 (0.53) BCHEOPRK1OPRM1OPRD1AOC3
SCHEMBL13995266 0.92 OPRK1 (0.53) BCHEOPRK1OPRM1OPRD1AOC3
SCHEMBL9511821 0.88 BCHE (0.51) BCHEOPRK1AOC3SLC6A2SLC6A4
SCHEMBL14006363 0.88 BCHE (0.51) BCHEOPRK1AOC3SLC6A2SLC6A4
SCHEMBL20803803 0.87 BCHE (0.52) BCHEOPRK1OPRM1OPRD1AOC3
SCHEMBL10147148 0.87 CALM1 (0.53) BCHEOPRK1AOC3SLC6A2SLC6A4
SCHEMBL12126089 0.87 MAOB (0.50) BCHEOPRK1OPRM1OPRD1SLC6A2
SCHEMBL12059219 0.85 HRH3 (0.53) BCHEOPRK1OPRM1OPRD1AOC3
SCHEMBL21675626 0.84 OPRK1 (0.47) BCHEOPRK1OPRM1OPRD1AOC3
SCHEMBL800998 0.82 POLB (0.54) BCHEOPRK1OPRM1AOC3SLC6A2

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-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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 BCHE 483/4885OPRK1 113/4885OPRM1 156/4885
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 BCHE 4077/4885OPRK1 334/4885OPRM1 1377/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 BCHE 483/4885OPRK1 113/4885OPRM1 156/4885

“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.