SCHEMBL3683316

SCHEMBL3683316

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
DRD1 P21728 3/20 0.43
DRD5 P21918 3/20 0.43
HTR1A P08908 10/20 0.38
ACHE P22303 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL3674423 0.86 HTR1A (0.36) DRD2HTR1A
SCHEMBL3678644 0.79 DRD1 (0.39) DRD2DRD1DRD5HTR1AHRH3
SCHEMBL3680945 0.72 HTR2A (0.42) DRD2DRD1DRD5ACHE
SCHEMBL11010302 0.69 DRD1 (0.48) DRD2DRD1DRD5HTR1A
SCHEMBL3668711 0.65 TH (0.35) DRD2DRD1HTR1A
SCHEMBL11378015 0.63 SLC6A2 (0.49) DRD2DRD1HTR1AADRA1DADRA1A
SCHEMBL8315948 0.60 DRD2 (0.46) DRD2HTR1A
Hydrochloric Acid SCHEMBL10836174 0.60 ADRA1B (0.47) DRD2HTR1AADRA1AADRA1B
SCHEMBL11372179 0.60 HTR1A (0.42) DRD2DRD1HTR1AADRA1DADRA1A
SCHEMBL11089335 0.59 DRD2 (0.44) DRD2DRD1DRD5HRH3

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 DRD2 1/4885DRD1 2/4885DRD5 15/4885
US-20050232870-A1 Method of treatment of dopamine-related dysfunction DRD2, DRD1, DRD3 DRD2 1/4885DRD1 2/4885DRD5 11/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 DRD2 2/4885DRD1 5/4885DRD5 62/4885
US-20050080266-A1 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS DRD2, COMT, CHRM3 DRD2 1/4885DRD1 30/4885DRD5 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 DRD2 1/4885DRD1 2/4885DRD5 7/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 DRD2 1/4885DRD1 2/4885DRD5 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.