SCHEMBL275229

SCHEMBL275229

CCCNC(=O)CCc1ccc(OC)cc1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.80
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.67
ATM Q13315 1/20 0.65
ALDH1A1 P00352 2/20 0.64

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
SCHEMBL10893730 0.91 POLB (0.71) POLBALDH1A1
SCHEMBL28742538 0.91 POLB (0.86) POLBKMT2AMEN1
SCHEMBL22291866 0.88 POLB (0.81) POLBALDH1A1
SCHEMBL13903018 0.87 POLB (0.62) POLBKMT2AMEN1ALDH1A1
SCHEMBL20325057 0.87 POLB (0.74) POLBKMT2AMEN1ATMALDH1A1
SCHEMBL10963023 0.86 POLB (0.78) POLBKMT2AMEN1ATMALDH1A1
SCHEMBL3199349 0.86 POLB (0.78) POLBKMT2AMEN1ATMALDH1A1
SCHEMBL15304610 0.86 POLB (0.68) POLBKMT2AMEN1ATMALDH1A1
SCHEMBL14281446 0.85 POLB (0.60) POLBKMT2AMEN1ATMALDH1A1
SCHEMBL6650418 0.85 CNR1 (0.77) POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43244-E1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
US-RE42802-E1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2011-10-04 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-6998405-B2 Parkinson's and Huntington's disease; psychoses, impotence, renal or heart failure, schizophrenia H. LUNDBECK A/S (DK) 2006-02-14 US disclosed
EP-1274411-B1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE LUNDBECK & CO AS H (DK) 2005-07-27 EP disclosed
US-20040138281-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use AXON BIOCHEMICALS B.V. (NL) 2004-07-15 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
US-6683087-B2 TREATMENT OF PARKINSON'S DISEASE, PSYCHOSES, HUNTINGTON'S DISEASE, IMPOTENCE, RENAL FAILURE, HEART FAILURE OR HYPERTENSION AXON BIOCHEMICALS B.V. (NL) 2004-01-27 US disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2003-05-08 US disclosed
EP-1274411-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE Axon Biochemicals B.V. (NL) 2003-01-15 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 WO disclosed
WO-2001078713-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE AXON BIOCHEMICALS B.V. (NL) 2001-10-25 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 (4 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-20040138281-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B POLB 887/4885KMT2A 1849/4885MEN1 3851/4885
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD POLB 2075/4885KMT2A 3230/4885MEN1 4880/4885
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B POLB 897/4885KMT2A 1819/4885MEN1 3932/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD POLB 2020/4885KMT2A 3695/4885MEN1 4873/4885

“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.