SCHEMBL3318151

SCHEMBL3318151

CCC[N+]1([O-])CCC(O)(c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.43
PKLR P30613 1/20 0.36
CNR2 P34972 1/20 0.36
DRD2 P14416 3/20 0.36
SIGMAR1 Q99720 1/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DRD3 P35462 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
HTR6 P50406 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
OPRL1 P41146 2/20 0.32
NOS2 P35228 1/20 0.32
KCNA5 P22460 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
SCHEMBL5735643 0.76 CNR2 (0.45) OPRM1PKLRCNR2HSD11B1HTR6
SCHEMBL13632659 0.75 DRD2 (0.57) OPRM1PKLRDRD2SIGMAR1MEN1
Hydrochloric Acid SCHEMBL17364192 0.74 DRD2 (0.56) OPRM1PKLRDRD2SIGMAR1MEN1
SCHEMBL29358152 0.72 DRD2 (0.58) DRD2SIGMAR1DRD3NR1H2NR1H3
SCHEMBL2865406 0.72 DRD2 (0.58) DRD2SIGMAR1DRD3NR1H2NR1H3
SCHEMBL17411221 0.69 MEN1 (0.48) OPRM1PKLRCNR2DRD2SIGMAR1
SCHEMBL3318655 0.68 CTSS (0.36) DRD2SIGMAR1HSD11B1DRD3NR1H2
SCHEMBL15436281 0.67 DRD2 (0.54) DRD2SIGMAR1DRD3HTR6
SCHEMBL13386466 0.65 CNR2 (0.42) OPRM1CNR2OPRL1
SCHEMBL10083308 0.65 KMT2A (0.50) OPRM1CNR2MEN1KMT2AALDH1A1

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 2 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
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

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 OPRM1 82/4885PKLR 2666/4885CNR2 33/4885

“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.