SCHEMBL3104995

SCHEMBL3104995

O=C(NCCCCN1CCC(c2ccc3c(c2)CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.70
MCHR1 Q99705 13/20 0.59
CCR2 P41597 2/20 0.49

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
SCHEMBL3115330 0.85 DRD3 (0.60) SLC2A1MCHR1
SCHEMBL3106225 0.84 SLC2A1 (0.60) SLC2A1MCHR1CCR2
SCHEMBL3111836 0.83 SMN1; SMN2 (0.55) SLC2A1CCR2
Hydrochloric Acid SCHEMBL6712354 0.83 SLC2A1 (0.59) SLC2A1MCHR1CCR2
SCHEMBL6805196 0.80 SLC2A1 (0.55) SLC2A1MCHR1CCR2
SCHEMBL6807489 0.78 SLC2A1 (0.52) SLC2A1MCHR1CCR2
SCHEMBL3121723 0.76 DRD2 (0.51) SLC2A1MCHR1
SCHEMBL6710630 0.76 CCR2 (0.53) SLC2A1CCR2
SCHEMBL3123342 0.76 SLC2A1 (0.50) SLC2A1CCR2
SCHEMBL3117184 0.75 DRD2 (0.54) SLC2A1

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 14 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
US-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-15 US disclosed
EP-1351935-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP 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-2002055495-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO 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 (3 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 SLC2A1 3324/4885MCHR1 429/4885CCR2 73/4885
US-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 SLC2A1 345/4885MCHR1 339/4885CCR2 228/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 SLC2A1 419/4885MCHR1 547/4885CCR2 478/4885

“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.