SCHEMBL1944494

SCHEMBL1944494

CN1CC[C@@H](c2ccc(F)cc2)[C@H](COS(C)(=O)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14605737 1.00 SLC6A3 (0.45) SLC6A3L3MBTL1
SCHEMBL12538344 1.00 SLC6A3 (0.45) SLC6A3L3MBTL1
SCHEMBL7241761 0.86 SLC6A3 (0.42) SLC6A3
SCHEMBL7246774 0.86 SLC6A3 (0.42) SLC6A3
SCHEMBL6603181 0.85 CYP2D6 (0.46) SLC6A3
SCHEMBL6598452 0.85 CYP2D6 (0.46) SLC6A3
SCHEMBL6598457 0.85 CYP2D6 (0.46) SLC6A3
SCHEMBL25217622 0.83 L3MBTL1 (0.41) L3MBTL1
SCHEMBL3059967 0.83 L3MBTL1 (0.41) L3MBTL1
SCHEMBL3357999 0.81

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-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 EP disclosed
US-10738064-B2 Chiral α-amino tertiary boronic esters PURDUE RESEARCH FOUNDATION (US) 2020-08-11 US disclosed
US-20200079799-A1 Novel Chiral Alfa-Amino Tertiary Boronic Esters PURDUE RESEARCH FOUNDATION (US) 2020-03-12 US disclosed
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-25 US disclosed
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-07-05 US disclosed
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-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-9315483-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
US-20110130424-A1 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-02 US 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
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
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-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-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20030187269-A1 Novel process SMITHKLINE BEECHAM PLC (GB) 2003-10-02 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 (10 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-20030187269-A1 Novel process TPO, KCNH3, HCCS SLC6A3 3180/4885L3MBTL1 2819/4885
US-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, TPH2, HTR5A SLC6A3 21/4885L3MBTL1 4074/4885
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same GRK2, GRK4, GRK3 SLC6A3 1578/4885L3MBTL1 4321/4885
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME GRK2, GRK4, GRK3 SLC6A3 1578/4885L3MBTL1 4321/4885
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof COMT, DRD2, DRD3 SLC6A3 21/4885L3MBTL1 3072/4885
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties SLC6A4, HTR4, HTR5A SLC6A3 41/4885L3MBTL1 2807/4885
US-20200079799-A1 Novel Chiral Alfa-Amino Tertiary Boronic Esters HBB, BCAT1, BCAT2 SLC6A3 1990/4885L3MBTL1 883/4885
US-20110130424-A1 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES SLC6A4, HTR4, HTR5A SLC6A3 41/4885L3MBTL1 2807/4885
US-10738064-B2 Chiral α-amino tertiary boronic esters HBB, BCAT1, BCAT2 SLC6A3 1340/4885L3MBTL1 690/4885
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A SLC6A3 21/4885L3MBTL1 4082/4885

“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.