SCHEMBL4630864

SCHEMBL4630864

CC(C)Oc1cccc(CC(=O)N2CCOC(CCOS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.51
TACR1 P25103 1/20 0.51
KMT2A Q03164 1/20 0.39

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
SCHEMBL7501724 1.00 TACR2 (0.51) TACR2TACR1KMT2A
SCHEMBL7501722 0.90 TACR2 (0.52) TACR2TACR1KMT2A
SCHEMBL4631235 0.90 KMT2A (0.41) TACR2TACR1KMT2A
SCHEMBL4630742 0.89 TACR2 (0.40) TACR2TACR1
SCHEMBL7493798 0.89 TACR2 (0.55) TACR2TACR1KMT2A
SCHEMBL4630875 0.89 TACR2 (0.55) TACR2TACR1KMT2A
SCHEMBL8592345 0.86 TACR2 (0.65) TACR2TACR1
SCHEMBL8883479 0.86 TACR2 (0.65) TACR2TACR1
SCHEMBL8882429 0.86 TACR2 (0.65) TACR2TACR1
SCHEMBL6668093 0.85 KMT2A (0.41) TACR2TACR1KMT2A

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 15 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-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 1/4885KMT2A 804/4885

“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.