SCHEMBL3672089

SCHEMBL3672089

Brc1ccc2c(c1Cc1cccc3cnccc13)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
PDE10A Q9Y233 1/20 0.40
ROS1 P08922 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MET P08581 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
DAO P14920 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
IDO1 P14902 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 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
SCHEMBL3676496 0.74 KDM4E (0.36) AOC3ROS1RPS6KB1KDM4ECYP3A4
SCHEMBL5232178 0.74 ROS1 (0.36) AOC3ROS1RPS6KB1KDM4ECYP3A4
SCHEMBL3971384 0.73 KDM4E (0.43) KDM4ECYP3A4CYP2D6LMNACYP1A2
Alcohol SCHEMBL3675269 0.72 OPRM1 (0.34) AOC3ROS1RPS6KB1KDM4ECYP3A4
SCHEMBL20930986 0.69 MET (0.51) PDE10AROS1RPS6KB1METKDM4E
SCHEMBL23050843 0.68 KDM4E (0.49) AOC3KDM4ECYP3A4CYP2D6CYP1A2
SCHEMBL3933037 0.67 CYP3A4 (0.53) PDE10AROS1RPS6KB1METKDM4E
SCHEMBL3816382 0.67 CYP3A4 (0.53) PDE10AROS1RPS6KB1METKDM4E
SCHEMBL843758 0.67 LMNA (0.53) PDE10AROS1RPS6KB1METKDM4E
Bromide SCHEMBL20378242 0.65 LMNA (0.52) PDE10AROS1RPS6KB1METKDM4E

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 16 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
EP-1414457-B1 CHIRAL DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2007-06-20 EP disclosed
EP-1320367-A4 PROCESS FOR THE PREPARATION OF DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2007-01-17 EP disclosed
EP-1699450-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS Darpharma, INC. (US) 2006-09-13 EP disclosed
US-7091212-B2 Chiral dinapsoline PURDUE RESEARCH FOUNDATION (US) 2006-08-15 US disclosed
WO-2006012640-A2 METHOD OF ADMINISTRATION OF DOPAMINE RECEPTOR AGONISTS DARPHARMA, INC. (US) 2006-02-02 WO disclosed
WO-2005062894-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS DARPHARMA, INC. (US) 2005-07-14 WO disclosed
EP-1414457-A4 CHIRAL DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2004-12-29 EP disclosed
EP-1414457-A1 CHIRAL DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2004-05-06 EP 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-1320367-A1 PROCESS FOR THE PREPARATION OF DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2003-06-25 EP disclosed
WO-2003013532-A1 CHIRAL DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2003-02-20 WO disclosed
WO-2002013827-A1 PROCESS FOR THE PREPARATION OF DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2002-02-21 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 AOC3 1441/4885PDE10A 1390/4885ROS1 4287/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 AOC3 1193/4885PDE10A 980/4885ROS1 3750/4885
US-20040063741-A1 Chiral dinapsoline NAP1L1, DDAH1, NAP1L4 AOC3 1362/4885PDE10A 796/4885ROS1 4098/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 AOC3 1418/4885PDE10A 1346/4885ROS1 4277/4885

“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.