SCHEMBL3318655

SCHEMBL3318655

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
DRD2 P14416 3/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KCNH2 Q12809 4/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
HSD11B1 P28845 1/20 0.33
PTGS2 P35354 2/20 0.33
DRD3 P35462 1/20 0.32
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 3/20 0.32
HTR6 P50406 1/20 0.32
PTGS1 P23219 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
SCHEMBL29358152 0.69 DRD2 (0.58) DRD2SIGMAR1DRD3NR1H2NR1H3
SCHEMBL2865406 0.69 DRD2 (0.58) DRD2SIGMAR1DRD3NR1H2NR1H3
SCHEMBL4827565 0.68 DRD2 (0.53) DRD2SIGMAR1DRD3HTR6
SCHEMBL3318151 0.68 OPRM1 (0.43) DRD2SIGMAR1HSD11B1DRD3NR1H2
SCHEMBL612693 0.67 BRD4 (0.41) CTSSCTSKLOXL2KCNH2BRD4
SCHEMBL4823982 0.66 HTR2C (0.57) SIGMAR1HTR6
SCHEMBL15436281 0.66 DRD2 (0.54) DRD2SIGMAR1PTGS2DRD3HTR6
SCHEMBL6243674 0.66 KCNH2 (0.50) CTSSCTSKLOXL2KCNH2PTGS2
SCHEMBL15037809 0.65 LOXL2 (0.41) CTSSCTSKDRD2LOXL2SIGMAR1
SCHEMBL18396148 0.65 DRD2 (0.49) DRD2SIGMAR1DRD3HTR6

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 CTSS 3052/4885CTSK 2552/4885DRD2 66/4885

“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.