SCHEMBL2851870

SCHEMBL2851870

COc1cccc(C2CCCN(Cc3ccccc3)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.70
SIGMAR1 Q99720 1/20 0.59
DRD3 P35462 4/20 0.54
DRD1 P21728 2/20 0.54
DRD4 P21917 2/20 0.54
DRD5 P21918 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 1/20 0.54
CHRM4 P08173 1/20 0.53
HRH2 P25021 1/20 0.52
PDE2A O00408 1/20 0.52
CNR2 P34972 1/20 0.51

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
Hydrochloric Acid SCHEMBL10352098 0.99 DRD2 (0.68) DRD2SIGMAR1DRD3DRD1DRD4
SCHEMBL22928142 0.92 DRD2 (0.62) DRD2SIGMAR1MEN1KMT2ACHRM4
SCHEMBL6353029 0.92 DRD2 (0.62) DRD2SIGMAR1MEN1KMT2ACHRM4
SCHEMBL10656309 0.86 DRD2 (0.71) DRD2SIGMAR1DRD3DRD1DRD4
SCHEMBL10653140 0.86 DRD2 (0.71) DRD2SIGMAR1DRD3DRD1DRD4
SCHEMBL10653134 0.86 DRD2 (0.71) DRD2SIGMAR1DRD3DRD1DRD4
SCHEMBL8437990 0.84 DRD2 (0.81) DRD2SIGMAR1DRD3DRD1DRD4
SCHEMBL7353465 0.84 DRD2 (0.81) DRD2SIGMAR1DRD3DRD1DRD4
SCHEMBL11623316 0.82 PDE4A (0.59) SIGMAR1MEN1KMT2A
SCHEMBL28226193 0.82 CYP1A2 (0.66) DRD2DRD3DRD1DRD4DRD5

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 11 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
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
EP-0097628-B1 PIPERIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATION CONTAINING THEM Carlsson, Per Arvid Emil (SE) 1990-09-19 EP disclosed
US-4937346-A Phenyl-azacykloalkanes Carlsson, Per Arvid Emil (SE) 1990-06-26 US disclosed
EP-0105243-B1 SEPARATION OF RACEMIC 1-PROPYL-3-ARYL PIPERIDINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-08-03 EP disclosed
US-4719219-A Phenyl-azacycloalkanes and use thereof in treatment of central nervous system disorders Carlsson, Per A. E. (SE) 1988-01-12 US disclosed
EP-0105243-A2 Separation of racemic 1-propyl-3-aryl piperidines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-04-11 EP disclosed
EP-0105243-A2 Separation of racemic 1-propyl-3-aryl piperidines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-04-11 EP disclosed
EP-0097628-A2 Piperidine derivatives, processes for their preparation and pharmaceutical preparation containing them Carlsson, Per Arvid Emil (SE) 1984-01-04 EP 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 DRD2 66/4885SIGMAR1 27/4885DRD3 37/4885

“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.