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Sugi Predict / Compounds / SCHEMBL3074752

SCHEMBL3074752

SCHEMBL3074752

CCCS(=O)(=O)NCC(C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 17/20 0.72
▸ GRIA1 P42261 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GRIA3 P42263 1/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL6660039 1.00 GRIA4 (0.72) GRIA4GRIA1GRIA2GRIA3MEN1
SCHEMBL3045502 1.00 GRIA4 (0.72) GRIA4GRIA1GRIA2GRIA3MEN1
SCHEMBL6563307 0.96 GRIA4 (0.65) GRIA4MEN1ALDH1A1LMNAHTT
SCHEMBL6563308 0.90 GRIA4 (0.56) GRIA4MEN1ALDH1A1LMNAHTT
SCHEMBL6565219 0.89 GRIA4 (0.56) GRIA4MEN1ALDH1A1LMNAHTT
SCHEMBL5878035 0.87 GRIA4 (0.74) GRIA4GRIA1GRIA2GRIA3
SCHEMBL5992695 0.85 GRIA4 (0.71) GRIA4GRIA1GRIA2GRIA3
Mibampator SCHEMBL3045499 0.84 GRIA4 (1.00) GRIA4GRIA1GRIA2GRIA3POLB
Mibampator SCHEMBL6660037 0.84 GRIA4 (1.00) GRIA4GRIA1GRIA2GRIA3POLB
Mibampator SCHEMBL3074747 0.84 GRIA4 (1.00) GRIA4GRIA1GRIA2GRIA3POLB

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-20030092770-A1 Combination therapy for treatment of depression ELI LILLY AND COMPANY 2003-05-15 — — US claimed
EP-1292311-A2 COMBINATION THERAPY FOR THE TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2003-03-19 — — EP claimed
WO-2001089530-A2 COMBINATION THERAPY FOR TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2001-11-29 — — WO claimed
WO-2001089510-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2001-11-29 — — WO claimed
US-9315483-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2016-04-19 — — US disclosed
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-07-16 — — US disclosed
US-20140336387-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3]DIOXOLES AND DERIVATIVES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2014-11-13 — — US disclosed
US-8822498-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2014-09-02 — — US disclosed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 — — EP disclosed
US-20140018390-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2014-01-16 — — US disclosed
US-8450492-B2 Deuterated benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-09-02 — — US disclosed
EP-2200997-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZOÝD¨Ý1,3¨DIOXOLES AND DERIVATIVES THEREOF Concert Pharmaceuticals Inc. (US) 2010-06-30 — — EP disclosed
US-7678914-B2 Deuterated benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2010-03-16 — — US disclosed
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
WO-2009035652-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2009-03-19 — — WO disclosed
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. 2008-11-20 — — US disclosed
US-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2008-02-07 — — US disclosed
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2007-08-16 — — US disclosed
US-20030092770-A1 Combination therapy for treatment of depression ELI LILLY AND COMPANY 2003-05-15 — — 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 (9 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-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, TPH2, HTR5A GRIA4 537/4885GRIA1 1056/4885GRIA2 787/4885
US-20140018390-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, DRD1 GRIA4 517/4885GRIA1 466/4885GRIA2 1121/4885
US-20140336387-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3]DIOXOLES AND DERIVATIVES THEREOF COMT, DRD2, DRD3 GRIA4 2544/4885GRIA1 2536/4885GRIA2 2040/4885
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, DRD1 GRIA4 517/4885GRIA1 466/4885GRIA2 1121/4885
US-20030092770-A1 Combination therapy for treatment of depression GRM2, GRIK2, GRIN2A GRIA4 18/4885GRIA1 23/4885GRIA2 19/4885
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A GRIA4 361/4885GRIA1 344/4885GRIA2 889/4885
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof COMT, DRD2, DRD3 GRIA4 2544/4885GRIA1 2536/4885GRIA2 2040/4885
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A GRIA4 361/4885GRIA1 344/4885GRIA2 889/4885
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, HTR1A GRIA4 361/4885GRIA1 344/4885GRIA2 889/4885

“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.