SCHEMBL6286641

SCHEMBL6286641

CC(C)(C)OC(=O)N1CCCC(CN(c2ccccc2)S(=O)(=O)c2cccc3cccnc23)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HTR2A P28223 4/20 0.45
HTR2C P28335 4/20 0.45
HTR7 P34969 4/20 0.45
HTR6 P50406 3/20 0.45
ACKR3 P25106 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL6287403 0.81 ACKR3 (0.50) HTR6ACKR3BCHE
SCHEMBL6709313 0.79 ACKR3 (0.45) HTR6ACKR3BCHE
SCHEMBL6286686 0.79 FEN1 (0.47) HTR6ACKR3ALDH1A1HPGDBCHE
SCHEMBL6714853 0.77 PTGES (0.46) HTR6ACKR3HTTBCHE
SCHEMBL13071833 0.73 BACE1 (0.48) MAPTHTR6ACKR3ALDH1A1BCHE
SCHEMBL5871030 0.72 ACKR3 (0.50) HTR6ACKR3BCHE
SCHEMBL5870694 0.72 PTPRB (0.52) MAPTHTR6ACKR3ALDH1A1HTT
SCHEMBL5870788 0.72 ACKR3 (0.50) HTR6ACKR3BCHE
SCHEMBL5870776 0.72 ACKR3 (0.50) HTR6ACKR3BCHE
SCHEMBL1380179 0.72 GAA (0.51) MAPTALDH1A1HTTHPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872716-B2 Antipsychotic sulfonamide-heterocycles, and methods of use thereof SEPRACOR, INC. (US) 2005-03-29 US disclosed
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF WU XINHE (US) 2004-11-25 US disclosed
US-6703383-B2 HETEROCYCLIC COMPOUNDS COMPRISING A SULFONAMIDE GROUP TO TREAT DISEASES SUCH AS PSYCHOLOGICAL DISORDERS CAUSED BY ONE OR MORE PROTEIN-G COUPLED RECEPTORS OR LIGAND -GATED ION CHANNELS SEPRACOR, INC. 2004-03-09 US disclosed
US-20020065265-A1 Antipsychotic sulfonamide-heterocycles, and methods of use thereof SEPRACOR INC. 2002-05-30 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 (2 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-20020065265-A1 Antipsychotic sulfonamide-heterocycles, and methods of use thereof TRPV1, CNR2, TRPM5 MAPT 2966/4885HTR2A 64/4885HTR2C 25/4885
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF TRPV1, CNR2, TRPM5 MAPT 2966/4885HTR2A 64/4885HTR2C 25/4885

“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.