SCHEMBL3676496

SCHEMBL3676496

OC(c1c(Br)ccc2c1OCO2)c1cccc2cnccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
IDO1 P14902 2/20 0.33
ROS1 P08922 1/20 0.32
RPS6KB1 P23443 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 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
Alcohol SCHEMBL3675269 0.95 OPRM1 (0.34) KDM4EMAPKAPK2ADRA2AADRA2BADRA2C
SCHEMBL5232178 0.76 ROS1 (0.36) KDM4EMAPKAPK2LMNACYP1A2CYP3A4
SCHEMBL3672089 0.74 AOC3 (0.44) KDM4EMAPKAPK2LMNACYP1A2CYP3A4
SCHEMBL3971384 0.70 KDM4E (0.43) KDM4EMAPKAPK2LMNACYP1A2CYP3A4
SCHEMBL19812908 0.66 AOC3 (0.44) CYP3A4AOC3
SCHEMBL19579734 0.66 KDM4E (0.43) KDM4EMAPKAPK2ADRA2AADRA2BADRA2C
SCHEMBL10537508 0.66 GAA (0.56) KDM4EMAPKAPK2ADRA2AADRA2BADRA2C
SCHEMBL30098521 0.65 KDM4E (0.55) KDM4EMAPKAPK2ADRA2AADRA2BADRA2C
SCHEMBL1830567 0.65 KDM4E (0.55) KDM4EMAPKAPK2ADRA2AADRA2BADRA2C
SCHEMBL28743874 0.65 KDM4E (0.55) KDM4EMAPKAPK2ADRA2AADRA2BADRA2C

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 14 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-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-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
WO-2003013532-A1 CHIRAL DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2003-02-20 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 KDM4E 4742/4885MAPKAPK2 3254/4885ADRA2A 27/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 KDM4E 4653/4885MAPKAPK2 2504/4885ADRA2A 8/4885
US-20040063741-A1 Chiral dinapsoline NAP1L1, DDAH1, NAP1L4 KDM4E 3583/4885MAPKAPK2 3541/4885ADRA2A 319/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 KDM4E 4741/4885MAPKAPK2 3254/4885ADRA2A 26/4885

“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.