SCHEMBL1690807

SCHEMBL1690807

Clc1ccc([C@H]2CNCCO2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.59
SLC6A4 P31645 10/20 0.59
SLC6A3 Q01959 4/20 0.59
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL1690561 1.00 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL1690560 1.00 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL26017597 0.90 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL26251626 0.86
SCHEMBL16465017 0.86
SCHEMBL16464078 0.86 SLC6A2 (0.53) SLC6A2DRD2DRD3
SCHEMBL18433828 0.86 DRD2 (0.52) DRD2DRD3
SCHEMBL16464076 0.86 SLC6A2 (0.53) SLC6A2DRD2DRD3
SCHEMBL1692968 0.85 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28056326 0.84 DRD2 (0.58) SLC6A2SLC6A4SLC6A3DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-20130338119-A1 Pyrrolidinone Benzenesulfonamide Derivatives as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-19 US disclosed
US-20120010416-A1 PYRROLIDINONE BENZENESULFONAMIDE DERIVATIVES AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 US disclosed
US-20120010416-A1 PYRROLIDINONE BENZENESULFONAMIDE DERIVATIVES AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 US disclosed
EP-2231655-B1 4(-3-(-2-(PHENYL)MORPHOLINO)-2-OXOPYRROLIDIN-1-YL)-N-(THIAZOL-2-YL)BENZENESULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN VERTEX PHARMA (US) 2011-08-31 EP disclosed
US-7994166-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-09 US disclosed
US-7994166-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-09 US disclosed
EP-2231655-A2 4(-3-(-2-(PHENYL)MORPHOLINO)-2-OXOPYRROLIDIN-1-YL)-N-(THIAZOL-2-YL)BENZENESULFONAMIDE DERIVATI VES AND RELATED COMPOUNDS AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2010-09-29 EP disclosed
WO-2009064747-A2 4(-3-(-2-(PHENYL)MORPHOLINO)-2-OXOPYRROLIDIN-1-YL)-N-(THIAZOL-2-YL)BENZENESULFONAMIDE DERIVATI VES AND RELATED COMPOUNDS AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-22 WO disclosed
US-20090131440-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-20090131440-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 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-20090131440-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 SLC6A2 460/4885SLC6A4 351/4885SLC6A3 417/4885
US-20120010416-A1 PYRROLIDINONE BENZENESULFONAMIDE DERIVATIVES AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN TRPV1, TRPV5, TRPA1 SLC6A2 1294/4885SLC6A4 806/4885SLC6A3 859/4885
US-20130338119-A1 Pyrrolidinone Benzenesulfonamide Derivatives as Modulators of Ion Channels KCNJ2, KCNN2, KCNJ1 SLC6A2 994/4885SLC6A4 629/4885SLC6A3 522/4885

“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.