Sugi Predict

Sugi Predict / Compounds / SCHEMBL3680945

SCHEMBL3680945

SCHEMBL3680945

COc1ccc2c(c1OC)Oc1cccc3c1C2CNC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.42
▸ DRD1 P21728 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL3668693 0.77 HTR2A (0.55) HTR2ADRD1DRD5KDM4EALDH1A1
SCHEMBL29383649 0.75 HTR2A (0.46) HTR2ADRD1DRD5KDM4EALDH1A1
SCHEMBL6345215 0.75 HTR2A (0.46) HTR2ADRD1DRD5KDM4EALDH1A1
Bromide SCHEMBL3668719 0.74 HTR2A (0.45) HTR2ADRD1KDM4EALDH1A1HSD17B10
SCHEMBL6391686 0.74 HTR2A (0.60) HTR2ADRD1MEN1KMT2AMAPT
SCHEMBL3674423 0.73 HTR1A (0.36) HTR2APOLBDRD2
SCHEMBL3683316 0.72 DRD2 (0.43) DRD1DRD5ACHEDRD2
SCHEMBL8905903 0.66 PDE4A (0.41) HTR2AALDH1A1ACHEMAPK3MAPK1
SCHEMBL16624111 0.66 HTR2C (0.39) DRD1KDM4ENPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL17965629 0.65 HTR2C (0.38) KDM4EALDH1A1HSD17B10LMNAHPGD

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 12 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-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
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 HTR2A 17/4885DRD1 2/4885DRD5 15/4885
US-20050232870-A1 Method of treatment of dopamine-related dysfunction DRD2, DRD1, DRD3 HTR2A 43/4885DRD1 2/4885DRD5 11/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 HTR2A 51/4885DRD1 5/4885DRD5 62/4885
US-20050080266-A1 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS DRD2, COMT, CHRM3 HTR2A 22/4885DRD1 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 HTR2A 64/4885DRD1 2/4885DRD5 7/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 HTR2A 17/4885DRD1 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.