SCHEMBL3678644

SCHEMBL3678644

C=CCN1Cc2cccc3c2C(C1)c1ccc(O)c(O)c1O3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.39
DRD2 P14416 5/20 0.39
DRD5 P21918 2/20 0.39
MTOR P42345 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP2D6 P10635 3/20 0.38
THPO P40225 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTR1A P08908 1/20 0.38
LMNA P02545 2/20 0.38
PMP22 Q01453 2/20 0.38
BLM P54132 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL3668711 0.83 TH (0.35) DRD1DRD2MTORMAPTKDM4E
SCHEMBL3683316 0.79 DRD2 (0.43) DRD1DRD2DRD5HTR1AHRH3
SCHEMBL29383649 0.69 HTR2A (0.46) DRD1DRD2DRD5MAPTKDM4E
SCHEMBL6345215 0.69 HTR2A (0.46) DRD1DRD2DRD5MAPTKDM4E
Bromide SCHEMBL3668719 0.69 HTR2A (0.45) DRD1DRD2MAPTKDM4ECYP2D6
Bromide SCHEMBL11269333 0.61 KDM4E (0.49) DRD1DRD2MTORMAPTKDM4E
SCHEMBL7546373 0.61 MAPT (0.80) DRD1DRD2DRD5MTORMAPT
SCHEMBL2321445 0.60 ADRA1D (0.81) CYP2D6HTR1ALMNAHRH3ADRA1D
SCHEMBL862833 0.59 ADRA1D (0.57) DRD2CYP2D6HIF1ALMNAHRH3
SCHEMBL10995993 0.59 ADRA2A (0.55) DRD1DRD2HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US disclosed
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists DARPHARMA, INC. (US) 2007-11-01 US disclosed
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DARPHARMA, INC. (US) 2007-07-05 US disclosed
US-20050232870-A1 Method of treatment of dopamine-related dysfunction PURDUE RESEARCH FOUNDATION AND UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2005-10-20 US disclosed
US-6916823-B2 Method of treatment of dopamine-related dysfunction PURDUE RESEARCH FOUNDATION (US) 2005-07-12 US disclosed
US-6916832-B2 Chromeno[4,3,2-de]isoquinolines as potent dopamine receptor ligands UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-07-12 US disclosed
US-20050080266-A1 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-04-14 US disclosed
EP-1192161-B1 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2003-05-21 EP disclosed
US-20020132827-A1 Using full D1 dopamine receptor agonists in an intermittent dosing protocol with a short, but essential, \"off-period.\ NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 US disclosed
US-6413977-B1 D1 AGONISTS; CENTRAL AND PERIPHERAL NERVOUS SYSTEM DYSFUNCTIONS; IMPROVING COGNITION AND MEMORY; PARKINSON'S DISEASE, SCHIZOPHRENIA, ATTENTION-DEFICIT HYPERACTIVITY, SUBSTANCE ABUSE, PHYSIOLOGICAL FUNCTION PURDUE RESEARCH FOUNDATION 2002-07-02 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 (6 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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DRD2, DRD1, DRD3 DRD1 2/4885DRD2 1/4885DRD5 15/4885
US-20050232870-A1 Method of treatment of dopamine-related dysfunction DRD2, DRD1, DRD3 DRD1 2/4885DRD2 1/4885DRD5 11/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 DRD1 5/4885DRD2 2/4885DRD5 62/4885
US-20050080266-A1 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS DRD2, COMT, CHRM3 DRD1 30/4885DRD2 1/4885DRD5 67/4885
US-20020132827-A1 Using full D1 dopamine receptor agonists in an intermittent dosing protocol with a short, but essential, \"off-period.\ DRD2, DRD1, DRD3 DRD1 2/4885DRD2 1/4885DRD5 7/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 DRD1 2/4885DRD2 1/4885DRD5 14/4885

“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.