SCHEMBL3117641

SCHEMBL3117641

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(CCc4cc(Cl)cc(Cl)c4)cc3)CC2)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.63
DRD3 P35462 10/20 0.63
DRD4 P21917 9/20 0.62
HTR1A P08908 2/20 0.62
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57

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
SCHEMBL3380835 0.87 DRD2 (0.62) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL3118886 0.87 DRD2 (0.62) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL3120754 0.85 DRD2 (0.67) DRD2DRD3DRD4HTR1AADRA1D
Hydrochloric Acid SCHEMBL6709052 0.85 DRD2 (0.66) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL3122150 0.83 DRD2 (0.69) DRD2DRD3DRD4
SCHEMBL14006049 0.82 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL14006129 0.81 DRD2 (0.69) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL14006056 0.79 DRD2 (0.65) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL1460505 0.78 DRD2 (0.83) DRD2DRD3DRD4HTR1A
SCHEMBL6053607 0.78 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA1D

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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US claimed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP claimed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO claimed
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 US disclosed
EP-1907860-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2010-11-17 EP disclosed
US-20100178710-A1 Mass Labels ELECTROPHORETICS LIMITED (GB) 2010-07-15 US disclosed
EP-1907860-A2 MASS LABELS Electrophoretics Limited (GB) 2008-04-09 EP disclosed
WO-2007012849-A2 MASS LABELS FOR BIOMOLECULES CONTAINING A 2,6-DIMETHYL-PIPERIDIN-l-YL METHYLENE OR A PYRIMIDIN-2-YL THIOMETHYLENE MASS MARKER MOIETY AND A SUCCINIMID-OXY-CARBONYL REACTIVE FUNCTIONAL GROUP ELECTROPHORETICS LIMITED (GB) 2007-02-01 WO disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 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 (2 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-20100178710-A1 Mass Labels B2M, SRRM2, CCNB1 DRD2 3923/4885DRD3 2912/4885DRD4 3928/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 DRD2 1008/4885DRD3 1137/4885DRD4 1915/4885

“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.