SCHEMBL2051415

SCHEMBL2051415

CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 2/20 1.00
▸ CNR2 P34972 12/20 0.79
▸ CNR1 P21554 9/20 0.79
▸ GLRA1 P23415 1/20 0.67
▸ NR1I2 O75469 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ SLC6A3 Q01959 1/20 0.65

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
SCHEMBL31545257 1.00 DRD3 (1.00) DRD3CNR2CNR1GLRA1NR1I2
SCHEMBL13883182 1.00 DRD3 (1.00) DRD3CNR2CNR1GLRA1NR1I2
SCHEMBL23601989 1.00 DRD3 (1.00) DRD3CNR2CNR1GLRA1NR1I2
SCHEMBL25953754 0.96 DRD3 (0.93) DRD3CNR2CNR1GLRA1NR1I2
SCHEMBL12590215 0.88 CNR2 (1.00) DRD3CNR2CNR1GLRA1NR1I2
SCHEMBL31545240 0.88 CNR2 (1.00) DRD3CNR2CNR1GLRA1NR1I2
SCHEMBL23601940 0.88 CNR2 (1.00) DRD3CNR2CNR1GLRA1NR1I2
SCHEMBL31545693 0.88 DRD3 (0.78) DRD3CNR2CNR1GLRA1
SCHEMBL31546040 0.88 DRD3 (0.78) DRD3CNR2CNR1GLRA1
SCHEMBL17388329 0.85 DRD3 (0.74) DRD3CNR2CNR1GLRA1NR1I2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100316678-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD. (AU) 2010-12-16 — — US claimed
EP-2175886-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBio Pty Ltd (AU) 2010-04-21 — — EP claimed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 — — US claimed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 — — EP claimed
WO-2009000038-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD (AU) 2008-12-31 — — WO claimed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 — — WO claimed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 — — EP claimed
US-20140194514-A1 TOPICAL FORMULATIONS TARAXOS INC. (US) 2014-07-10 — — US disclosed
US-20130209585-A1 Topical NMDA Antagonist Formulations for the Treatment of Peripheral Neuropathy KIM STANLEY (US) 2013-08-15 — — US disclosed
US-20110178177-A1 TOPICAL FORMULATIONS FOR TREATMENT OF NEUROPATHY TARAXOS INC. (US) 2011-07-21 — — US disclosed
US-20110129508-A1 METHODS AND COMPOSITIONS FOR THE MANAGEMENT OF PAIN USING OMEGA-CONOTOXINS RELEVARE AUST. PTY LTD (AU) 2011-06-02 — — US disclosed
US-20100316678-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD. (AU) 2010-12-16 — — US disclosed
EP-2175886-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBio Pty Ltd (AU) 2010-04-21 — — EP disclosed
EP-1441635-A2 STERILE, BREATHABLE PATCH FOR TREATING WOUND PAIN EpiCept Corporation (US) 2004-08-04 — — EP disclosed
EP-1438020-A2 TOPICAL COMPOSITIONS AND METHODS FOR TREATING PAIN EpiCept Corporation (US) 2004-07-21 — — EP disclosed
US-6638981-B2 Oil-in-water emulsions comprising antidepressant, NMDA receptor antagonist, lipophilic component, water, surfactant; compositions induce local-anesthetic effect when topically administered to intact skin, treating neuropathic pain EPICEPT CORPORATION 2003-10-28 — — US disclosed
US-20030082214-A1 Topical compositions and methods for treating pain DISCOVER GROWTH FUND, LLC (VI) 2003-05-01 — — US disclosed
WO-2003034900-A2 STERILE, BREATHABLE PATCH FOR TREATING WOUND PAIN EPICEPT CORPORATION (US) 2003-05-01 — — WO disclosed
US-20030082225-A1 Sterile, breathable patch for treating wound pain EPICEPT CORPORATION 2003-05-01 — — US disclosed
WO-2003015699-A2 TOPICAL COMPOSITIONS AND METHODS FOR TREATING PAIN EPICEPT CORPORATION (US) 2003-02-27 — — 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 (1 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-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A DRD3 249/4885CNR2 129/4885CNR1 78/4885

“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.

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