SCHEMBL4826786

SCHEMBL4826786

ICc1coc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
DRD4 P21917 3/20 0.54
DRD3 P35462 3/20 0.54
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 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
SCHEMBL6593764 0.85 DRD2 (0.54) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL2223682 0.81 LMNA (0.52) DRD2DRD4DRD3LMNAHDAC1
SCHEMBL1051422 0.81 HDAC1 (0.46) HDAC1HDAC8HDAC6PPARGPPARA
SCHEMBL1047872 0.81 HDAC1 (0.50) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL4034904 0.81 DRD2 (0.54) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL3126496 0.81 DRD2 (0.54) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL5544565 0.81 DRD2 (0.54) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL202789 0.81 DRD2 (0.54) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL12432902 0.81 DRD2 (0.54) DRD2DRD4DRD3FFAR1ALDH1A1
SCHEMBL1436020 0.81 DRD2 (0.58) DRD2DRD4DRD3FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399777-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
EP-1425014-B1 DIARYL CYCLOALKYL DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS PPAR ACTIVATORS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-12-13 EP disclosed
US-20050267177-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-01 US disclosed
US-6884812-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-26 US disclosed
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-06-24 US disclosed
EP-1425014-A1 DIARYL CYCLOALKYL DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS PPAR ACTIVATORS Aventis Pharma Deutschland GmbH (DE) 2004-06-09 EP disclosed
US-6624185-B2 Drugs at least one lipid- or triglyceride-lowering active compound; and carriers for lipid metabolism AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-23 US disclosed
US-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-31 US disclosed
WO-2003020269-A1 DIARYL CYCLOALKYL DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS PPAR ACTIVATORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-13 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-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals PNLIP, LIPC, APOB DRD2 3068/4885DRD4 3046/4885DRD3 2715/4885
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, APOB DRD2 3139/4885DRD4 3096/4885DRD3 2751/4885
US-20050267177-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, LIPA DRD2 3159/4885DRD4 3002/4885DRD3 2773/4885

“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.