SCHEMBL618869

SCHEMBL618869

c1ccc(C2CCCc3ccccc3N2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 3/20 0.41
PRCP P42785 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.39
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL13306192 0.89 ESR1 (0.51) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL13784817 0.89 ESR1 (0.51) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL5051433 0.89 ESR1 (0.51) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL30124970 0.89 ESR1 (0.51) MEN1KMT2ANPC1ESR1ESR2
Hydrochloric Acid SCHEMBL30542604 0.87 ESR1 (0.50) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL28905012 0.79 ESR1 (0.50) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL29779937 0.77 PRCP (0.55) MEN1KMT2ANPC1MAPTPRCP
SCHEMBL4978935 0.77 PRCP (0.55) MEN1KMT2ANPC1MAPTPRCP
SCHEMBL28464278 0.77 ESR1 (0.48) KMT2AESR1ESR2MAPTGAA
SCHEMBL5638183 0.76 ESR1 (0.50) MEN1KMT2ANPC1ESR1ESR2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists DARPHARMA, INC. (US) 2007-11-01 US claimed
US-9359303-B2 Octahydrobenzoisoquinoline modulators of dopamine receptors and uses therefor PURDUE RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
EP-2421862-B1 OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR PURDUE RESEARCH FOUNDATION (US) 2014-06-11 EP disclosed
EP-2421862-A1 OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR Purdue Research Foundation (US) 2012-02-29 EP disclosed
US-20120041018-A1 OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR PURDUE RESEARCH FOUNDATION (US) 2012-02-16 US disclosed
WO-2010124005-A1 OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR PURDUE RESEARCH FOUNDATION (US) 2010-10-28 WO 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
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-1192161-A2 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2002-04-03 EP 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
WO-2000078765-A2 CHROMENO[4,3,2-de]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2000-12-28 WO 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 (4 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 MEN1 3906/4885KMT2A 2426/4885NPC1 1439/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 MEN1 4494/4885KMT2A 3199/4885NPC1 1546/4885
US-20120041018-A1 OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR DBH, SLC6A3, SLC18A2 MEN1 4627/4885KMT2A 1909/4885NPC1 1945/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 MEN1 3893/4885KMT2A 2468/4885NPC1 1442/4885

“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.