SCHEMBL1690925

SCHEMBL1690925

Clc1cc(Cl)cc([C@H]2CNCCO2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
HTR1A P08908 1/20 0.49

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
SCHEMBL1690578 1.00 DRD2 (0.53) DRD2DRD3HTR1A
SCHEMBL1636926 1.00 DRD2 (0.53) DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL16970832 0.98 DRD2 (0.51) DRD2DRD3HTR1A
Oxalic Acid SCHEMBL1690638 0.91 SLC6A3 (0.51) DRD2DRD3
SCHEMBL28594527 0.85 DRD2 (0.43) DRD2DRD3
SCHEMBL11681496 0.83 DRD2 (0.68) DRD2DRD3HTR1A
SCHEMBL31224477 0.82 SLC6A3 (0.59) DRD2DRD3
Hydrochloric Acid SCHEMBL16462137 0.82 DRD2 (0.66) DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL16462135 0.82 DRD2 (0.66) DRD2DRD3HTR1A
SCHEMBL1638190 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 13 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
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 DRD2 1848/4885DRD3 2222/4885HTR1A 686/4885
US-20120010416-A1 PYRROLIDINONE BENZENESULFONAMIDE DERIVATIVES AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN TRPV1, TRPV5, TRPA1 DRD2 2059/4885DRD3 2780/4885HTR1A 1365/4885
US-20130338119-A1 Pyrrolidinone Benzenesulfonamide Derivatives as Modulators of Ion Channels KCNJ2, KCNN2, KCNJ1 DRD2 2499/4885DRD3 3403/4885HTR1A 1952/4885

“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.