SCHEMBL3733003

SCHEMBL3733003

[Li]c1cccc2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
CYP3A4 P08684 4/20 0.59
LMNA P02545 3/20 0.59
CYP2D6 P10635 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
MAPKAPK2 P49137 1/20 0.59
HTT P42858 1/20 0.53
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
KCNA3 P22001 1/20 0.42
IMPDH2 P12268 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
PRKD3 O94806 3/20 0.41

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
SCHEMBL6240424 0.77 LMNA (0.63) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL7948611 0.76 KDM4E (0.61) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL276518 0.74 KDM4E (1.00) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL4368137 0.74 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL30020533 0.74 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL3147494 0.74 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL4207818 0.74 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL276517 0.74 CYP3A4 (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL12271 0.74 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL3805113 0.74 CYP1A2 (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2

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 KDM4E 4742/4885CYP3A4 1157/4885LMNA 4480/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 KDM4E 4653/4885CYP3A4 590/4885LMNA 4167/4885
US-20040063741-A1 Chiral dinapsoline NAP1L1, DDAH1, NAP1L4 KDM4E 3583/4885CYP3A4 388/4885LMNA 3867/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 KDM4E 4741/4885CYP3A4 1121/4885LMNA 4494/4885

“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.