SCHEMBL1399131

SCHEMBL1399131

O=C1CC[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 17/20 1.00
DDB1 Q16531 12/20 1.00
ALDH1A1 P00352 1/20 0.64
CHRM2 P08172 1/20 0.64
OPRM1 P35372 1/20 0.64
IKZF3 Q9UKT9 1/20 0.64
CYP1A2 P05177 1/20 0.64
TSHR P16473 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
IKZF1 Q13422 1/20 0.53
IKZF2 Q9UKS7 1/20 0.53

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
SCHEMBL776766 1.00 CRBN (1.00) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31741887 1.00 CRBN (1.00) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL1398958 1.00 CRBN (1.00) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL18263927 0.93 CRBN (0.86) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29528664 0.85 CRBN (0.73) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29528595 0.85 CRBN (0.73) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL28667428 0.85 CRBN (0.73) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL28668307 0.85 CRBN (0.73) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25814228 0.84 CRBN (0.72) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25690999 0.80 CRBN (0.66) CRBNDDB1ALDH1A1CHRM2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925294-B3 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2018-07-04 EP disclosed
US-20160096818-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNFALPHA LEVELS CELGENE CORPORATION 2016-04-07 US disclosed
EP-2859895-A1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORPORATION (US) 2015-04-15 EP disclosed
EP-2305663-B1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORP (US) 2014-12-17 EP disclosed
US-20140187584-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and -1-Oxoisoindolines and Method of Reducing TNFalpha Levels CELGENE CORPORATION (US) 2014-07-03 US disclosed
US-20130030021-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and 1-Oxoisoindolines and Method of Reducing TNFalpha Levels CELGENE CORPORATION (US) 2013-01-31 US disclosed
US-8288415-B2 Pharmaceutical compositions of 3-(4-amino-1-oxoisoindolin-2yl)-piperidine-2,6-dione CELGENE CORPORATION (US) 2012-10-16 US disclosed
EP-2177517-B1 Amino substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimide for reducing TNF alpha levels CELGENE CORP (US) 2011-10-26 EP disclosed
EP-2070920-B1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORP (US) 2011-03-02 EP disclosed
US-7709502-B2 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines CELGENE CORPORATION (US) 2010-05-04 US disclosed
EP-1285916-A1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and -1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORPORATION (US) 2003-02-26 EP disclosed
EP-0925294-B1 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2002-12-11 EP disclosed
US-20020183360-A1 Substituted 2-(2,6-dioxopiperidin-3-YL)-phthalimides and -1-oxoisoindolines and method of reducing TNFalpha levels MULLER GEORGE W (US) 2002-12-05 US disclosed
US-6476052-B1 Isoindolines, method of use, and pharmaceutical compositions CELGENE CORPORATION 2002-11-05 US disclosed
US-20020045643-A1 Isoindolines, method of use, and pharmaceutical compositions MULLER GEORGE W (US) 2002-04-18 US disclosed
US-6335349-B1 AGENTS THAT REDUCE LEVELS OF TUMOR NECROSIS FACTOR; ANTICARCINOGENIC AND ANTIINFLAMMATORY AGENTS; TREATMENT OF AUTOIMMUNE DISEASES CELGENE CORPORATION 2002-01-01 US disclosed
US-6316471-B1 TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES CELGENE CORPORATION 2001-11-13 US disclosed
US-6281230-B1 TREATING INFLAMMATION, INFLAMMATORY DISEASE OR AUTOIMMUNE DISEASE IN A MAMMAL CELGENE CORPORATION 2001-08-28 US disclosed
EP-0925294-A1 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORPORATION (US) 1999-06-30 EP disclosed
WO-1998003502-A1 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORPORATION (US) 1998-01-29 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 (5 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-20160096818-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNFALPHA LEVELS TNF, NFKBIA, TRAF2 CRBN 3501/4885DDB1 447/4885ALDH1A1 1232/4885
US-20140187584-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and -1-Oxoisoindolines and Method of Reducing TNFalpha Levels TNF, NFKBIA, TRAF2 CRBN 3501/4885DDB1 447/4885ALDH1A1 1232/4885
US-20020183360-A1 Substituted 2-(2,6-dioxopiperidin-3-YL)-phthalimides and -1-oxoisoindolines and method of reducing TNFalpha levels TNF, TNFRSF1A, TRAF2 CRBN 3437/4885DDB1 1125/4885ALDH1A1 701/4885
US-20020045643-A1 Isoindolines, method of use, and pharmaceutical compositions TNF, OPRK1, OPRD1 CRBN 4469/4885DDB1 3697/4885ALDH1A1 362/4885
US-20130030021-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and 1-Oxoisoindolines and Method of Reducing TNFalpha Levels TNF, NFKBIA, TRAF2 CRBN 3601/4885DDB1 396/4885ALDH1A1 1344/4885

“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.