Sugi Predict

Sugi Predict / Compounds / SCHEMBL3675858

SCHEMBL3675858

SCHEMBL3675858

[Li]c1nccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.56
▸ CYP2A6 P11509 2/20 0.56
▸ F12 P00748 1/20 0.56
▸ NCF1 P14598 1/20 0.56
▸ NOS3 P29474 1/20 0.56
▸ NOS1 P29475 1/20 0.56
▸ NOS2 P35228 1/20 0.56
▸ BACE1 P56817 1/20 0.56
▸ PLG P00747 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CFTR P13569 1/20 0.44
▸ GOPC Q9HD26 1/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL329150 0.76 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29923403 0.75 PLAU (0.60) PLAUCYP2A6F12NCF1NOS3
SCHEMBL199273 0.75 PLAU (0.60) PLAUCYP2A6F12NCF1NOS3
SCHEMBL24663121 0.73 CYP2A6 (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4797349 0.73 PLAU (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL30522769 0.73 PLAU (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL1741872 0.71 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3
SCHEMBL70487 0.71 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3
SCHEMBL1567649 0.71 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3
SCHEMBL1010668 0.71 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3

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 20 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
CN-1964713-A Co-use of dopamine-receptor binding compounds DARPHARMA INC (US) 2007-05-16 — — CN 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
CN-1162452-C Process for polymerization of alpha-olefins, polyalphaolefins prepared thereby, and aminosilane compounds useful as components of catalysts for such process 三井化学株式会社 2004-08-18 — — CN 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
CN-1184120-A Process for polymerization of alpha-olefins, polyalphaolefins prepared thereby, and aminosilane compounds useful as components of catalysts for such process GRAND POLYMER CO LTD (JP) 1998-06-10 — — CN disclosed
US-4122180-A Isoquinolines and anti-depressants containing them MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-10-24 — — 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 (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 PLAU 3705/4885CYP2A6 1136/4885F12 3745/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 PLAU 3718/4885CYP2A6 1728/4885F12 2946/4885
US-20040063741-A1 Chiral dinapsoline NAP1L1, DDAH1, NAP1L4 PLAU 4538/4885CYP2A6 934/4885F12 4668/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 PLAU 3691/4885CYP2A6 1128/4885F12 3716/4885

“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.