SCHEMBL4877544

SCHEMBL4877544

O=C(C[C@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 1.00
GRIN3B O60391 9/20 1.00
GRIN1 Q05586 9/20 1.00
GRIN2A Q12879 9/20 1.00
GRIN2B Q13224 9/20 1.00
GRIN2C Q14957 9/20 1.00
GRIN3A Q8TCU5 9/20 1.00

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
SCHEMBL9598147 1.00 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8334678 1.00 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9597689 0.92 GRIN2D (0.84) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9599421 0.91 GRIN2D (0.83) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9598408 0.91 GRIN2D (0.83) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9598395 0.91 GRIN2D (0.83) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9598049 0.91 GRIN2D (0.83) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8906265 0.90 GRIN2D (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9597701 0.90 GRIN2D (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9209443 0.89 GRIN2D (0.80) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2006-07-20 US claimed
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO claimed
US-10894069-B2 Topical antiviral formulations and methods of using the same MCELVANY CHRISTOPHER A (US) 2021-01-19 US disclosed
US-20200230187-A1 TOPICAL ANTIVIRAL FORMULATIONS AND METHODS OF USING THE SAME MCELVANY CHRISTOPHER A (US) 2020-07-23 US disclosed
US-10456435-B2 Topical antiviral formulations and methods of using the same MCELVANY, Christopher A. (US) 2019-10-29 US disclosed
US-20180207213-A1 TOPICAL ANTIVIRAL FORMULATIONS AND METHODS OF USING THE SAME MCELVANY, CHRISTOPHER 2018-07-26 US disclosed
US-8486374-B2 Alcohol-free drug or cosmetics carrier mixture of water, hydrophobic solvent, surfactant and gelling agent; oil in water emulsions FOAMIX LTD. (IL) 2013-07-16 US disclosed
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2008-12-04 US disclosed
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT FOAMIX PHARMACEUTICALS LTD. (IL) 2008-11-27 US disclosed
US-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF FOAMIX PHARMACEUTICALS LTD. (IL) 2008-08-28 US disclosed
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD 2008-03-13 US disclosed
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD. (IL) 2007-12-20 US disclosed
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2006-07-20 US disclosed
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO disclosed
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain PHARMACIA CORPORATION 2004-04-29 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 (7 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-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF NR5A1, CYP17A1, LIPA GRIN2D 4715/4885GRIN3B 4112/4885GRIN1 3664/4885
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT SSTR2, SSTR3, LPXN GRIN2D 4148/4885GRIN3B 4410/4885GRIN1 4335/4885
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 GRIN2D 4685/4885GRIN3B 4287/4885GRIN1 4141/4885
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 GRIN2D 4685/4885GRIN3B 4287/4885GRIN1 4141/4885
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage CNR2, CNR1, PTGS2 GRIN2D 457/4885GRIN3B 172/4885GRIN1 304/4885
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain GRIN2A, GRIN2B, GRIN3A GRIN2D 7/4885GRIN3B 6/4885GRIN1 4/4885
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES LIPA, PHOSPHO1, MYO1G GRIN2D 3109/4885GRIN3B 3088/4885GRIN1 2543/4885

“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.