SCHEMBL3670524

SCHEMBL3670524

Oc1ccc2c(c1O)Cc1cccc3c1C2CNC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.60
PARP1 P09874 1/20 0.44
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
KIF11 P52732 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
SCHEMBL3672464 1.00 HTR2A (0.60) HTR2APARP1MEN1CYP3A4CYP2D6
SCHEMBL16938669 1.00 HTR2A (0.60) HTR2APARP1MEN1CYP3A4CYP2D6
SCHEMBL29383346 1.00 HTR2A (0.60) HTR2APARP1MEN1CYP3A4CYP2D6
SCHEMBL22953388 0.85 HTR2A (0.43) HTR2APARP1MEN1CYP3A4CYP2D6
SCHEMBL22952986 0.82 PARP1 (0.46) HTR2APARP1CYP3A4DRD2DRD1
SCHEMBL22953390 0.76 HTR2A (0.36) HTR2APARP1DRD2DRD1KIF11
Hydrochloric Acid SCHEMBL29960806 0.74 HTR2A (0.97) HTR2AMEN1CYP3A4CYP2D6KMT2A
SCHEMBL6345215 0.74 HTR2A (0.46) HTR2APARP1MEN1CYP3A4CYP2D6
SCHEMBL29383649 0.74 HTR2A (0.46) HTR2APARP1MEN1CYP3A4CYP2D6
SCHEMBL22952989 0.73 PARP1 (0.43) HTR2APARP1CYP3A4KIF11

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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US disclosed
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-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-20070155720-A1 Co-administration of dopamine-receptor binding compounds DARPHARMA, INC. (US) 2007-07-05 US disclosed
EP-1414457-B1 CHIRAL DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2007-06-20 EP disclosed
US-7091212-B2 Chiral dinapsoline PURDUE RESEARCH FOUNDATION (US) 2006-08-15 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
US-20040063741-A1 Chiral dinapsoline SIT SING-YUEN (US) 2004-04-01 US disclosed
US-6645975-B1 Reducing, deprotecting and optionally alkylating chemical intermediates to form 8,9-dihydroxy-2,3,7,11b-tetrahydro-1H-naphtho(1,2,3-de)isoquinoline, used as dopamine receptor agonists PURDUE RESEARCH FOUNDATION 2003-11-11 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-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
EP-0845988-B1 NOVEL FUSED ISOQUINOLINES AS DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2001-12-05 EP disclosed
US-6194423-B1 CENTRAL NERVOUS SYSTEM DISORDERS PURDUE RESEARCH FOUNDATION 2001-02-27 US disclosed
US-5959110-A SUBSTITUTED TETRAHYDRO-1H-NAPH(1,2,3-DE)ISOQUINOLINE COMPOUND USEFUL FOR TREATING NERVOUS SYSTEM DISORDERS PURDUE RESEARCH FOUNDATION (US) 1999-09-28 US disclosed
EP-0845988-A4 NOVEL FUSED ISOQUINOLINES AS DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 1998-11-11 EP disclosed
EP-0845988-A1 NOVEL FUSED ISOQUINOLINES AS DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 1998-06-10 EP disclosed
WO-1997006799-A1 NOVEL FUSED ISOQUINOLINES AS DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 1997-02-27 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 (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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DRD2, DRD1, DRD3 HTR2A 17/4885PARP1 2956/4885MEN1 3906/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 HTR2A 51/4885PARP1 2962/4885MEN1 4494/4885
US-20050080266-A1 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS DRD2, COMT, CHRM3 HTR2A 22/4885PARP1 3687/4885MEN1 4885/4885
US-20040063741-A1 Chiral dinapsoline NAP1L1, DDAH1, NAP1L4 HTR2A 49/4885PARP1 967/4885MEN1 2071/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 HTR2A 17/4885PARP1 2944/4885MEN1 3893/4885

“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.