SCHEMBL2739310

SCHEMBL2739310

CC(C)Oc1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.65
▸ CNR1 P21554 4/20 0.65
▸ ACHE P22303 3/20 0.65
▸ CYP1A2 P05177 3/20 0.59
▸ CYP2D6 P10635 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ GUCY1B2 O75343 1/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ HTR1A P08908 1/20 0.59
▸ ADRA2A P08913 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ DRD1 P21728 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ SLC6A4 P31645 1/20 0.59
▸ GUCY1A2 P33402 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ OPRM1 P35372 1/20 0.59
▸ DRD3 P35462 1/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ GUCY1A1 Q02108 1/20 0.59

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
SCHEMBL2760339 0.83 CNR2 (0.70) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL12077492 0.82 CNR1 (0.60) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL13186421 0.81 CYP1A2 (0.58) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL12092607 0.81 CNR2 (0.76) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL9917392 0.78 CYP1A2 (0.72) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL16772288 0.77 CYP1A2 (0.70) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL10829748 0.77 CNR1 (0.62) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL13777322 0.77 CNR1 (0.54) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL27520009 0.77 CNR1 (0.65) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL6767143 0.75 CNR2 (0.68) CNR2CNR1ACHECYP1A2CYP2D6

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-9718766-B2 High penetration drugs and their compositions thereof for treatment of parkinson diseases TECHFIELDS PHARMA CO., LTD. (CN) 2017-08-01 — — US disclosed
US-20160272653-A1 PRO-DRUGS OF NSAIAS WITH VERY HIGH SKIN AND MEMBRANES PENETRATION RATES AND THEIR NEW MEDICINAL USES TECHFIELDS PHARMA CO., LTD. (CN) 2016-09-22 — — US disclosed
US-9371284-B2 Pro-drugs of NSAIAS with very high skin and membranes penetration rates and their new medicinal uses TECHFIELDS PHARMA CO., LTD. (CN) 2016-06-21 — — US disclosed
US-20160002157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES PREMIER RESEARCH INTERNATIONAL, LLC 2016-01-07 — — US disclosed
US-8304409-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-11-06 — — US disclosed
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 — — US disclosed
US-8088762-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-01-03 — — US disclosed
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NICOX S.A. (IT) 2011-04-28 — — US disclosed
US-7883714-B2 (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits NICOX S.A. (FR) 2011-02-08 — — US disclosed
US-7754772-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX, S.A. (FR) 2010-07-13 — — US disclosed
US-20100172960-A1 PRO-DRUGS OF NSAIAS WITH VERY HIGH SKIN AND MEMBRANES PENETRATION RATES AND THEIR NEW MEDICINAL USES PREMIER RESEARCH INTERNATIONAL, LLC 2010-07-08 — — US disclosed
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-06-03 — — US disclosed
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 — — US disclosed
US-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 — — US disclosed
US-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 — — US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 — — US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 — — US disclosed
US-7332516-B2 Geminally di-substituted NSAID derivatives as Aβ42 lowering agents MERCK + CO., INC. (US) 2008-02-19 — — US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 — — US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 — — 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 (8 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-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 CNR2 501/4885CNR1 662/4885ACHE 527/4885
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 CNR2 1685/4885CNR1 2306/4885ACHE 285/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 CNR2 481/4885CNR1 680/4885ACHE 367/4885
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 CNR2 501/4885CNR1 662/4885ACHE 527/4885
US-20100172960-A1 PRO-DRUGS OF NSAIAS WITH VERY HIGH SKIN AND MEMBRANES PENETRATION RATES AND THEIR NEW MEDICINAL USES MYLK2, ALPI, SLC2A2 CNR2 1758/4885CNR1 2539/4885ACHE 902/4885
US-20160002157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES ABCB1, PARK7, SLC5A7 CNR2 846/4885CNR1 978/4885ACHE 298/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 CNR2 501/4885CNR1 662/4885ACHE 527/4885
US-20160272653-A1 PRO-DRUGS OF NSAIAS WITH VERY HIGH SKIN AND MEMBRANES PENETRATION RATES AND THEIR NEW MEDICINAL USES MYLK2, ALPI, SLC2A2 CNR2 1758/4885CNR1 2539/4885ACHE 902/4885

“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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