SCHEMBL3750896

SCHEMBL3750896

COc1ccc(S(=O)(=O)n2c(C)c(C(OC(=O)C(F)(F)F)C(=O)N(C)C3CCN(C)CC3)c3ccccc32)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.49
AVPR1B P47901 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.35

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
SCHEMBL3744512 0.82 HTR6 (0.36) HTR6ALDH1A1TSHRMEN1HTT
Trifluoroacetic Acid SCHEMBL3750891 0.81 HTR6 (0.50) HTR6AVPR1BALDH1A1TSHRKDM4E
Trifluoroacetic Acid SCHEMBL3754269 0.71 HTR6 (0.49) HTR6ALDH1A1TSHRKDM4EMEN1
SCHEMBL3746693 0.71 HTR6 (0.58) HTR6ALDH1A1TSHRKDM4EMEN1
Trifluoroacetic Acid SCHEMBL3754067 0.70 HTR6 (0.51) HTR6ALDH1A1
Trifluoroacetic Acid SCHEMBL3759250 0.70 HTR6 (0.49) HTR6ALDH1A1
Trifluoroacetic Acid SCHEMBL3753593 0.69 HTR6 (0.49) HTR6ALDH1A1TSHRKDM4EMEN1
SCHEMBL3749236 0.66 HTR6 (1.00) HTR6
SCHEMBL5035284 0.66 HTR6 (0.53) HTR6ALDH1A1
Trifluoroacetic Acid SCHEMBL3749338 0.65 AVPR1B (0.63) HTR6AVPR1BALDH1A1TSHRSMN1; SMN2

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 966/4885ALDH1A1 1048/4885

“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.