SCHEMBL3380974

SCHEMBL3380974

NCCCCN1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.97

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.97
ADRA1D P25100 4/20 0.77
CYP2D6 P10635 1/20 0.62

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
SCHEMBL5705177 0.99 SLC6A4 (1.00) SLC6A4ADRA1DCYP2D6
SCHEMBL5705183 0.99 SLC6A4 (1.00) SLC6A4ADRA1DCYP2D6
Hydrochloric Acid SCHEMBL5705146 0.97 SLC6A4 (0.98) SLC6A4ADRA1DCYP2D6
SCHEMBL5705230 0.96 SLC6A4 (0.90) SLC6A4ADRA1DCYP2D6
SCHEMBL9672545 0.91 SLC6A4 (0.81) SLC6A4ADRA1DCYP2D6
Hydrochloric Acid SCHEMBL7259157 0.89 ADRA1D (0.90) SLC6A4ADRA1DCYP2D6
SCHEMBL14306777 0.88 ADRA1D (0.80) SLC6A4ADRA1DCYP2D6
SCHEMBL27467624 0.87 ADRA1D (0.77) SLC6A4ADRA1DCYP2D6
SCHEMBL7260934 0.87 ADRA1D (1.00) SLC6A4ADRA1D
Hydrochloric Acid SCHEMBL7259920 0.87 ADRA1D (0.97) SLC6A4ADRA1D

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 19 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
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 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
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 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
WO-2004006923-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed
EP-1044197-A2 NEW PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-10-18 EP disclosed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
EP-0324431-B1 NEW INDOLYLPIPERIDINE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP disclosed
US-5017703-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-05-21 US disclosed
US-4935432-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-06-19 US disclosed
EP-0324431-A1 New indolylpiperidine compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-07-19 EP 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 SLC6A4 1968/4885ADRA1D 95/4885CYP2D6 3568/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 SLC6A4 2034/4885ADRA1D 306/4885CYP2D6 1393/4885
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia LDLR, NR1H2, NR1H3 SLC6A4 2990/4885ADRA1D 147/4885CYP2D6 1475/4885

“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.