SCHEMBL5701159

SCHEMBL5701159

c1ccc(CNCCOc2ccc3ccccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 1.00
DRD4 P21917 7/20 0.70
DRD2 P14416 4/20 0.64
DRD3 P35462 4/20 0.64
ADRA1D P25100 1/20 0.64
ADRA1A P35348 1/20 0.64
ADRA1B P35368 1/20 0.64
ALOX5 P09917 1/20 0.57
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 1/20 0.53

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
SCHEMBL5701304 0.95 PPARG (0.91) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL5701156 0.91 PPARG (0.83) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL9319380 0.86 PPARG (0.74) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL5701146 0.83 PPARG (0.71) PPARGDRD4DRD2DRD3ALOX5
SCHEMBL8740486 0.83 DRD4 (1.00) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL9269749 0.81 DRD4 (0.83) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL5701236 0.81 DRD2 (0.71) PPARGDRD4DRD2DRD3ALOX5
SCHEMBL5701143 0.81 PPARG (0.68) PPARGDRD4DRD2DRD3ALOX5
SCHEMBL9269886 0.80 DRD4 (0.80) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL9269193 0.80 DRD4 (0.80) PPARGDRD4DRD2DRD3ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682484-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-26 EP claimed
US-7081465-B2 Alpha-substituted naphthyloxy omega-substituted alky/aryl amino-substituted alkane derivatives as agent for treatment or prophylaxis of diabetes and related metabolic disorders COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-25 US claimed
WO-2005042465-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-05-12 WO claimed
EP-1682484-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-26 EP disclosed
US-7081465-B2 Alpha-substituted naphthyloxy omega-substituted alky/aryl amino-substituted alkane derivatives as agent for treatment or prophylaxis of diabetes and related metabolic disorders COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-25 US disclosed
WO-2005042465-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-05-12 WO disclosed
US-20040192688-A1 Alpha-substituted naphthyloxy omega-substituted alkyl/aryl amino-substituted alkane derivatives as agent for treatment or prophylaxis of diabetes and related metabolic disorders COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2004-09-30 US disclosed
WO-1995029155-A1 NOVEL ANTITUMOUR COMPOUNDS WITH ANTIMITOTIC ACTIVITY PHARMACIA AB (SE) 1995-11-02 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 (1 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-20040192688-A1 Alpha-substituted naphthyloxy omega-substituted alkyl/aryl amino-substituted alkane derivatives as agent for treatment or prophylaxis of diabetes and related metabolic disorders APOB, LIPC, FABP3 PPARG 102/4885DRD4 656/4885DRD2 720/4885

“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.