SCHEMBL1689596

SCHEMBL1689596

COc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C3CCCCC3(O)c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.53
OPRM1 P35372 7/20 0.53
SLC6A5 Q9Y345 7/20 0.53
OPRL1 P41146 5/20 0.53
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ESR1 P03372 1/20 0.46
CAMK2A Q9UQM7 2/20 0.44
CNR2 P34972 1/20 0.44
CAMK2G Q13555 1/20 0.44
HSD11B1 P28845 1/20 0.43
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR7 P34969 1/20 0.40

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
SCHEMBL5363402 1.00 SLC6A9 (0.53) SLC6A9OPRM1SLC6A5OPRL1TSHR
SCHEMBL5740969 0.94 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5OPRL1TSHR
SCHEMBL5740972 0.94 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5OPRL1TSHR
SCHEMBL5741464 0.84 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1TSHR
SCHEMBL5741465 0.84 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1TSHR
SCHEMBL5741682 0.83 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1HTR2A
SCHEMBL5741677 0.83 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1HTR2A
SCHEMBL5363537 0.77 TSHR (0.51) SLC6A9SLC6A5TSHRMAPK1ESR1
SCHEMBL5363541 0.77 TSHR (0.51) SLC6A9SLC6A5TSHRMAPK1ESR1
SCHEMBL5371501 0.72 TSHR (0.63) TSHRMAPK1ESR1CAMK2ACNR2

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176316-B2 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US claimed
EP-1594840-B1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-09-27 EP claimed
EP-1594840-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP claimed
WO-2004072034-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-26 WO claimed
US-20040167166-A1 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. 2004-08-26 US claimed
US-20190290632-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2019-09-26 US disclosed
US-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
EP-1871165-B1 METHOD OF TREATING SCHIZOPHRENIA PRODROME UNIV YALE (US) 2017-06-21 EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy ABBVIE INC. 2010-10-28 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
US-7176316-B2 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US disclosed
EP-1594840-B1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
EP-1594840-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004072034-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-26 WO disclosed
US-20040167166-A1 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. 2004-08-26 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 (6 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-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AADAT, BCAT1, GFPT1 SLC6A9 58/4885OPRM1 984/4885SLC6A5 31/4885
US-20040167166-A1 Amino-piperidine derivatives OPRL1, GRIA1, GRIN1 SLC6A9 414/4885OPRM1 31/4885SLC6A5 160/4885
US-20190290632-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AADAT, BCAT1, GFPT1 SLC6A9 58/4885OPRM1 984/4885SLC6A5 31/4885
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 SLC6A9 23/4885OPRM1 1366/4885SLC6A5 7/4885
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GDI2, GDI1, NQO2 SLC6A9 1796/4885OPRM1 3469/4885SLC6A5 542/4885
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy SLC7A1, BCAT1, AADAT SLC6A9 233/4885OPRM1 518/4885SLC6A5 118/4885

“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.