SCHEMBL2861863

SCHEMBL2861863

CCCN1CCCC(c2cccc(OC)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 1.00
DRD3 P35462 10/20 0.72
DRD4 P21917 8/20 0.70
DRD1 P21728 6/20 0.70
DRD5 P21918 6/20 0.70
SIGMAR1 Q99720 3/20 0.68
NFKB1 P19838 1/20 0.68
PRCP P42785 1/20 0.68
EBP Q15125 1/20 0.68

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
SCHEMBL2861859 1.00 DRD2 (1.00) DRD2DRD3DRD4DRD1DRD5
Bromide SCHEMBL7314081 0.99 DRD2 (0.97) DRD2DRD3DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL7317357 0.99 DRD2 (0.97) DRD2DRD3DRD4DRD1DRD5
Ammonia Solution, Strong SCHEMBL7206823 0.99 DRD2 (0.97) DRD2DRD3DRD4DRD1DRD5
SCHEMBL11270511 0.96 DRD2 (0.93) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7353948 0.92 DRD2 (0.86) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7314494 0.92 DRD2 (0.87) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7315588 0.91 DRD2 (0.84) DRD2DRD3DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL7316558 0.91 DRD2 (0.84) DRD2DRD3DRD4DRD1DRD5
Preclamol SCHEMBL10510876 0.91 DRD2 (0.83) DRD2DRD3DRD4DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105243-B1 SEPARATION OF RACEMIC 1-PROPYL-3-ARYL PIPERIDINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-08-03 EP claimed
EP-0105243-A2 Separation of racemic 1-propyl-3-aryl piperidines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-04-11 EP claimed
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-0097628-A2 Piperidine derivatives, processes for their preparation and pharmaceutical preparation containing them Carlsson, Per Arvid Emil (SE) 1984-01-04 EP disclosed
WO-1981001552-A1 NEW PHENYL-AZACYCLOALKANES ASTRA LAEKEMEDEL AB (SE) 1981-06-11 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 DRD2 66/4885DRD3 37/4885DRD4 13/4885

“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.