SCHEMBL7246774

SCHEMBL7246774

CN1CC[C@@H](c2ccc(F)cc2)[C@H](COS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL7241761 1.00 SLC6A3 (0.42) SLC6A3
SCHEMBL7314846 0.92 SLC6A3 (0.48) SLC6A3
SCHEMBL7421806 0.92 SLC6A3 (0.48) SLC6A3
SCHEMBL8602315 0.92 SLC6A3 (0.48) SLC6A3
SCHEMBL8602312 0.92 SLC6A3 (0.48) SLC6A3
SCHEMBL7314835 0.92 SLC6A3 (0.48) SLC6A3
SCHEMBL6603181 0.90 CYP2D6 (0.46) SLC6A3
SCHEMBL6598452 0.90 CYP2D6 (0.46) SLC6A3
SCHEMBL6598457 0.90 CYP2D6 (0.46) SLC6A3
SCHEMBL13799659 0.89 SLC6A3 (0.40) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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-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 (3 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 3180/4885
US-20140336387-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3]DIOXOLES AND DERIVATIVES THEREOF COMT, DRD2, DRD3 SLC6A3 21/4885
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof COMT, DRD2, DRD3 SLC6A3 21/4885

“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.