SCHEMBL3754257

SCHEMBL3754257

COc1cc(C)c(S(=O)(=O)N2CC(C(=O)O)c3ccccc32)c(C)c1C

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.68
AVPR1B P47901 1/20 0.46
KCNH2 Q12809 1/20 0.42
EPHX2 P34913 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
SCHEMBL3755361 0.88 HTR6 (0.54) HTR6AVPR1BEPHX2
SCHEMBL3750919 0.83 HTR6 (0.67) HTR6AVPR1BKCNH2
SCHEMBL3746678 0.82 HTR6 (1.00) HTR6AVPR1B
SCHEMBL3757147 0.79 PDE4A (0.55) HTR6KCNH2
SCHEMBL3744515 0.76 HTR6 (0.74) HTR6AVPR1BKCNH2
SCHEMBL13043255 0.73 HTR6 (0.55) HTR6
SCHEMBL3751473 0.71 HTR6 (0.82) HTR6
SCHEMBL16150426 0.67 HTR6 (0.42) HTR6
SCHEMBL16502971 0.66 CRHBP (0.49) HTR6
SCHEMBL3754088 0.66 HTR6 (1.00) HTR6AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 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 (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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D HTR6 12/4885AVPR1B 966/4885KCNH2 718/4885

“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.