SCHEMBL5899889

SCHEMBL5899889

NC(=O)CCCN1CCC(c2ccc3c(c2O)CCCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
MCHR1 Q99705 10/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
S1PR5 Q9H228 1/20 0.37
METAP2 P50579 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL5899890 0.86 SLC6A4 (0.45) DRD2DRD4DRD3MCHR1
SCHEMBL5937192 0.84 DRD2 (0.42) DRD2DRD4DRD3MCHR1S1PR5
SCHEMBL6664166 0.84 DRD2 (0.41) DRD2DRD4DRD3MCHR1SMN1; SMN2
SCHEMBL6710663 0.82 DRD2 (0.40) DRD2DRD4DRD3MCHR1SMN1; SMN2
SCHEMBL5899921 0.82 S1PR5 (0.41) DRD2DRD4DRD3MCHR1S1PR5
Hydrochloric Acid SCHEMBL5899863 0.81 S1PR5 (0.41) DRD2DRD4DRD3MCHR1S1PR5
SCHEMBL6661716 0.80 DRD2 (0.39) DRD2DRD4DRD3MCHR1S1PR5
SCHEMBL6660507 0.80 DRD2 (0.39) DRD2DRD4DRD3MCHR1S1PR5
SCHEMBL6790396 0.80 DRD2 (0.39) DRD2DRD4DRD3MCHR1S1PR5
SCHEMBL5899905 0.80 S1PR5 (0.46) DRD2MCHR1SMN1; SMN2S1PR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression BOUILLOT ANNE (FR) 2004-07-29 US claimed
EP-1351937-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP claimed
WO-2002055497-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO claimed
US-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol GLAXO GROUP LIMITED (GB) 2006-06-08 US disclosed
US-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression BOUILLOT ANNE (FR) 2004-07-29 US disclosed
US-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-15 US disclosed
EP-1351937-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
EP-1351935-A1 ARYL PIPERIDINE 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-2002055497-A1 ARYL PIPERIDINE 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-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol LDLR, NR1H2, NR1H3 DRD2 573/4885DRD4 708/4885DRD3 624/4885
US-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 DRD2 152/4885DRD4 118/4885DRD3 117/4885
US-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 DRD2 269/4885DRD4 244/4885DRD3 222/4885

“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.