SCHEMBL3380970

SCHEMBL3380970

NC(=O)CCCN1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.71
ADRA1D P25100 4/20 0.70
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
HTR7 P34969 1/20 0.60
KCNH2 Q12809 1/20 0.60
CCR2 P41597 2/20 0.60

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
SCHEMBL11786426 0.87 ADRA1D (0.66) SLC6A4ADRA1DDRD2CCR2
Hydrochloric Acid SCHEMBL11784755 0.86 ADRA1D (0.67) SLC6A4ADRA1DDRD2CCR2
Hydrochloric Acid SCHEMBL7259157 0.86 ADRA1D (0.90) SLC6A4ADRA1D
SCHEMBL5705230 0.85 SLC6A4 (0.90) SLC6A4ADRA1D
SCHEMBL31295331 0.85 CYP2D6 (0.64) SLC6A4ADRA1DCCR2
SCHEMBL14306777 0.85 ADRA1D (0.80) SLC6A4ADRA1D
SCHEMBL3380974 0.84 SLC6A4 (0.97) SLC6A4ADRA1D
SCHEMBL11788127 0.84 CCR2 (0.72) SLC6A4ADRA1DDRD2CCR2
SCHEMBL11784971 0.84 DRD2 (0.70) ADRA1DDRD2
SCHEMBL31295230 0.83 CYP2D6 (0.59) SLC6A4ADRA1DCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 US claimed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US claimed
EP-1907860-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2010-11-17 EP disclosed
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 US disclosed
EP-1539158-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
WO-2004006922-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 SLC6A4 2034/4885ADRA1D 306/4885DRD2 1008/4885
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia LDLR, NR1H2, NR1H3 SLC6A4 2990/4885ADRA1D 147/4885DRD2 662/4885

“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.