SCHEMBL4630697

SCHEMBL4630697

CS(=O)(=O)OCCC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)c2ccccc2)CCO1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.50
TACR1 P25103 7/20 0.46
TACR3 P29371 5/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL4630839 0.95 TACR2 (0.49) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL4631772 0.91 TACR2 (0.47) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL4870849 0.88 TACR2 (0.38) TACR2TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5106738 0.88 TACR2 (0.38) TACR2TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4631124 0.87 TACR2 (0.59) TACR2CHRM2CHRM3
SCHEMBL6962224 0.87 TACR2 (0.48) TACR2TACR1TACR3
SCHEMBL7494916 0.87 TACR2 (0.48) TACR2TACR1TACR3
SCHEMBL4631761 0.87 TACR2 (0.49) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL4631196 0.85 TACR2 (0.51) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6199169 0.85 TACR2 (0.39) TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560549-B2 Sulfonyloxy derivatives SANKYO COMPANY, LIMITED (JP) 2009-07-14 US disclosed
US-7560549-B2 Sulfonyloxy derivatives SANKYO COMPANY, LIMITED (JP) 2009-07-14 US disclosed
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP disclosed
US-20070135434-A1 Sulfonyloxy derivatives SANKYO COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135434-A1 Sulfonyloxy derivatives SANKYO COMPANY, LIMITED (JP) 2007-06-14 US disclosed
EP-1754701-A1 SULFONYLOXY DERIVATIVES Sankyo Company, Limited (JP) 2007-02-21 EP disclosed
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP disclosed
EP-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-0807111-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP disclosed
US-6242637-B1 USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-05 US disclosed
US-6011154-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 2000-01-04 US disclosed
US-5977359-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1999-11-02 US disclosed
US-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 US disclosed
US-5780466-A DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS SANOFI (FR) 1998-07-14 US disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 US disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO 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 (1 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-20070135434-A1 Sulfonyloxy derivatives TACR1, NPSR1, TACR2 TACR2 3/4885TACR1 1/4885TACR3 42/4885

“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.