Doxanthrine

Doxanthrine

SCHEMBL7943399

Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 10/20 1.00
DRD2 P14416 6/20 1.00
DRD4 P21917 5/20 1.00
ADRA2A P08913 1/20 1.00
ADRA2B P18089 1/20 1.00
ADRA2C P18825 1/20 1.00
DRD5 P21918 1/20 1.00
DRD3 P35462 1/20 1.00
MAPK1 P28482 4/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPT P10636 3/20 0.61
TP53 P04637 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
HSD17B10 Q99714 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
PKM P14618 2/20 0.61
CYP2C19 P33261 1/20 0.61
ADRB2 P07550 1/20 0.61

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
Doxanthrine SCHEMBL13963768 1.00 DRD1 (1.00) DRD1DRD2DRD4ADRA2AADRA2B
Doxanthrine SCHEMBL29380697 1.00 DRD1 (1.00) DRD1DRD2DRD4ADRA2AADRA2B
Doxanthrine SCHEMBL13963759 1.00 DRD1 (1.00) DRD1DRD2DRD4ADRA2AADRA2B
Doxanthrine SCHEMBL13974053 1.00 DRD1 (1.00) DRD1DRD2DRD4ADRA2AADRA2B
Doxanthrine SCHEMBL4507980 0.99 DRD1 (0.97) DRD1DRD2DRD4ADRA2AADRA2B
Doxanthrine SCHEMBL3879181 0.99 DRD1 (0.97) DRD1DRD2DRD4ADRA2AADRA2B
Doxanthrine SCHEMBL3882738 0.99 DRD1 (0.97) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL13963755 0.83 DRD1 (0.71) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL13974052 0.83 DRD1 (0.71) DRD1DRD2DRD4ADRA2AADRA2B
SCHEMBL3952852 0.83 DRD1 (0.71) DRD1DRD2DRD4ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US claimed
US-20160279146-A1 METHODS AND PHARMACEUTICAL FORMULATIONS FOR TREATMENT OF SELECTIVE ESTROGEN-RECEPTOR MODULATOR-INDUCED ADVERSE DRUG REACTIONS LIMOXIFEN B.V. (NL) 2016-09-29 US disclosed
EP-2364317-B1 DOPAMINE RECEPTOR LIGANDS WITH ENHANCED DURATION OF ACTION EFFIPHARMA INC (US) 2015-07-29 EP disclosed
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-20110190332-A1 DOPAMINE RECEPTOR LIGANDS WITH ENHANCED DURATION OF ACTION EFFIPHARMA (US) 2011-08-04 US disclosed
US-20110190332-A1 DOPAMINE RECEPTOR LIGANDS WITH ENHANCED DURATION OF ACTION EFFIPHARMA (US) 2011-08-04 US disclosed
WO-2010017093-A2 DOPAMINE RECEPTOR LIGANDS WITH ENHANCED DURATION OF ACTION EFFIPHARMA, INC. (US) 2010-02-11 WO disclosed
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2009-01-29 US disclosed
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2009-01-29 US disclosed
WO-2007098462-A2 TRANS-FUSED CHROMENOISOQUINOLINES, SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2007-08-30 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 (2 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-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE SLC6A3, HTR3B, SLC18A2 DRD1 23/4885DRD2 4/4885DRD4 13/4885
US-20110190332-A1 DOPAMINE RECEPTOR LIGANDS WITH ENHANCED DURATION OF ACTION PRLHR, OPRD1, SLC6A3 DRD1 12/4885DRD2 4/4885DRD4 10/4885

“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.