SCHEMBL2880193

SCHEMBL2880193

C=CC(c1ccccc1)C1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.39
SLC6A4 P31645 13/20 0.39
SLC6A3 Q01959 13/20 0.39

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
SCHEMBL12641781 0.84 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL6259912 0.84 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL7349657 0.83 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL461672 0.81 IDO1 (0.42)
SCHEMBL7382004 0.81 DRD2 (0.51) SLC6A2SLC6A4
SCHEMBL1702617 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL7351989 0.80 EED (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL10784398 0.80 IDO1 (0.49)
SCHEMBL7649264 0.78 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8983761 0.77 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139525-B2 N-oxide and/or di-N-oxide derivatives of dopamine receptor stabilizers/modulators displaying improved cardiovascular side-effects profiles TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2015-09-22 US disclosed
EP-2146961-B1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES IVAX INT GMBH (CH) 2014-01-29 EP disclosed
CN-101711236-B N-oxide and/or di-N-oxide derivatives of dopamine receptor stabilizers/modulators displaying improved cardiovascular side-effects profiles NSAB AF NEUROSEARCH SWEDEN AB (DK) 2012-10-31 CN disclosed
CN-101711236-A n-oxide and/or di-n-oxide derivatives of dopamine receptor stabilizers/modulators displaying improved cardiovascular side-effects profiles NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-05-19 CN disclosed
US-20100105736-A1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-04-29 US disclosed
EP-2146961-A1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-01-27 EP disclosed
WO-2008127188-A1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES ALLBAY AB (SE) 2008-10-23 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 (1 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-20100105736-A1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES CHRM4, GPR4, HTR4 SLC6A2 246/4885SLC6A4 105/4885SLC6A3 18/4885

“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.