SCHEMBL3122425

SCHEMBL3122425

NC(=O)CCCN1CCC(c2csc3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.66
SLC6A4 P31645 4/20 0.66
CHRM4 P08173 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR7 P34969 8/20 0.46
HTR1A P08908 6/20 0.44
HTR2A P28223 2/20 0.44
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1D P25100 1/20 0.40

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
SCHEMBL3122433 0.84 SLC6A4 (0.70) DRD2SLC6A4CHRM4HTR1AADRA1D
SCHEMBL6707211 0.79 DRD2 (0.63) DRD2SLC6A4HTR7HTR1AHTR2A
SCHEMBL3380970 0.76 SLC6A4 (0.71) DRD2SLC6A4HTR7HTR2AADRA1D
SCHEMBL3115404 0.76 DRD2 (0.51) DRD2SLC6A4HTR7
SCHEMBL6788939 0.76 DRD2 (0.50) DRD2SLC6A4HTR7ADRA1D
SCHEMBL6968572 0.75 DRD2 (0.66) DRD2SLC6A4ALDH1A1CYP1A2CYP2D6
SCHEMBL11877059 0.75 SLC6A4 (0.72) DRD2SLC6A4CHRM4HTR1AHTR2A
SCHEMBL6755250 0.75 DRD2 (0.67) DRD2SLC6A4CHRM4HTR1AHTR2A
SCHEMBL7993011 0.73 DRD2 (0.58) DRD2SLC6A4CHRM4HTR1AHTR2A
SCHEMBL3119619 0.73 HTR1A (0.46) DRD2SLC6A4HTR7HTR1AHTR2A

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 3923/4885SLC6A4 4579/4885CHRM4 524/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 DRD2 1008/4885SLC6A4 2034/4885CHRM4 3339/4885

“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.