SCHEMBL3260333

SCHEMBL3260333

CCCCOc1ccc(C(=O)OCCOCCN(C)C)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.61
SCN1A P35498 4/20 0.61
KCNH2 Q12809 4/20 0.61
SCN2A Q99250 4/20 0.61
SCN3A Q9NY46 4/20 0.61
HRH3 Q9Y5N1 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP3A4 P08684 3/20 0.61
MAOA P21397 2/20 0.61
SIGMAR1 Q99720 2/20 0.61
CYP2C19 P33261 2/20 0.61
SLC6A3 Q01959 3/20 0.57
TSHR P16473 2/20 0.57
SLC6A2 P23975 1/20 0.57
HIF1A Q16665 1/20 0.57
RAD52 P43351 1/20 0.56
PHLPP2 Q6ZVD8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 4/20 0.47

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
Betoxycaine SCHEMBL25758 0.90 CYP2D6 (0.77) CYP1A2SCN1AKCNH2SCN2ASCN3A
Betoxycaine SCHEMBL6898673 0.85 CYP2D6 (0.82) CYP1A2SCN1AKCNH2SCN2ASCN3A
SCHEMBL5654276 0.80 CYP1A2 (0.65) CYP1A2SCN1AKCNH2SCN2ASCN3A
SCHEMBL28029759 0.78 PHLPP2 (0.62) CYP1A2SCN1AKCNH2SCN2ASCN3A
SCHEMBL14304168 0.77 CYP1A2 (0.70) CYP1A2SCN1AKCNH2SCN2ASCN3A
SCHEMBL10728959 0.77 CYP1A2 (0.60) CYP1A2SCN1AKCNH2SCN2ASCN3A
SCHEMBL8170977 0.77 CYP1A2 (0.60) CYP1A2SCN1AKCNH2SCN2ASCN3A
SCHEMBL2314260 0.77 CYP1A2 (0.60) CYP1A2SCN1AKCNH2SCN2ASCN3A
Proparacaine SCHEMBL20704827 0.77 SCN1A (0.71) CYP1A2SCN1AKCNH2SCN2ASCN3A
SCHEMBL7156485 0.76 CYP1A2 (0.61) CYP1A2SCN1AKCNH2SCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140162986-A1 Methods for treatment of thiol-containing compound deficient conditions NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2014-06-12 US disclosed
US-7790762-B2 Compounds and methods for thiol-containing compound efflux and cancer treatment NATIONAL JEWISH HEALTH (US) 2010-09-07 US disclosed
EP-2217259-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Health (US) 2010-08-18 EP disclosed
EP-1562563-B1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NAT JEWISH HEALTH (US) 2010-03-03 EP disclosed
WO-2009052411-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-04-23 WO disclosed
US-7498047-B2 Methods for treatment of thiol-containing compound deficient conditions NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-03-03 US disclosed
US-20080221029-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-11 US disclosed
EP-1954681-A2 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT National Jewish Medical and Research Center (US) 2008-08-13 EP disclosed
EP-1931345-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2008-06-18 EP disclosed
WO-2007073518-A9 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT NAT JEWISH MED & RES CENTER (US) 2007-08-23 WO disclosed
WO-2007073518-A2 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2007-06-28 WO disclosed
WO-2007024741-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2007-03-01 WO disclosed
US-20060135585-A1 Compounds and methods for thiol-containing compound efflux and cancer treatment NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2006-06-22 US disclosed
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2006-03-16 US disclosed
EP-1562563-A4 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NAT JEWISH MED & RES CENTER (US) 2005-12-28 EP disclosed
EP-1562563-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2005-08-17 EP disclosed
WO-2004042020-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2004-05-21 WO disclosed
US-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2004-05-06 US 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 (5 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-20060135585-A1 Compounds and methods for thiol-containing compound efflux and cancer treatment ABCC1, ABCC2, ABCB1 CYP1A2 1078/4885SCN1A 3354/4885KCNH2 3952/4885
US-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract ABCC1, CFTR, ABCC2 CYP1A2 1086/4885SCN1A 3598/4885KCNH2 3856/4885
US-20080221029-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS ABCC1, SLC47A2, SLC47A1 CYP1A2 1075/4885SCN1A 1648/4885KCNH2 2134/4885
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease ABCC2, CFTR, ABCC1 CYP1A2 1237/4885SCN1A 1301/4885KCNH2 2381/4885
US-20140162986-A1 Methods for treatment of thiol-containing compound deficient conditions ABCC1, CFTR, SLC47A1 CYP1A2 1469/4885SCN1A 2244/4885KCNH2 3803/4885

“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.