SCHEMBL13737484

SCHEMBL13737484

Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)C(C)(Cc2ccccc2)NC3)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.51
KCNH2 Q12809 1/20 0.43
HTR1A P08908 4/20 0.42
HTR7 P34969 4/20 0.42
ALDH1A1 P00352 2/20 0.39
SLC8A1 P32418 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.37

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
SCHEMBL13737289 0.85 SLC6A9 (0.46) SLC6A9KCNH2HTR1AHTR7ALDH1A1
SCHEMBL13736566 0.85 SLC6A9 (0.61) SLC6A9KCNH2SLC8A1MEN1KMT2A
SCHEMBL13740480 0.81 SLC6A9 (0.54) SLC6A9KCNH2HTR1AHTR7ALDH1A1
SCHEMBL16229752 0.79 SLC6A9 (0.52) SLC6A9KCNH2HTR1AHTR7ALDH1A1
SCHEMBL13737988 0.79 SLC6A9 (0.58) SLC6A9KCNH2ALDH1A1
SCHEMBL13738310 0.79 SLC6A9 (0.55) SLC6A9KCNH2HTR1AHTR7ALDH1A1
SCHEMBL13737901 0.77 SLC6A9 (0.55) SLC6A9KCNH2HTR1AHTR7SLC8A1
SCHEMBL626911 0.77 HTR1A (0.44) SLC6A9KCNH2HTR1AHTR7ALDH1A1
SCHEMBL605890 0.77 SLC6A9 (0.59) SLC6A9KCNH2HTR1AHTR7SLC8A1
SCHEMBL13827325 0.76 SLC6A9 (0.56) SLC6A9KCNH2HTR1AHTR7SLC8A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814810-B1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2018-12-19 EP claimed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 US claimed
EP-2814810-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-24 EP claimed
WO-2013120835-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2013-08-22 WO claimed
US-20130210880-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE INC. (US) 2013-08-15 US claimed
EP-2814810-B1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2018-12-19 EP disclosed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 US disclosed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 US disclosed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 US disclosed
US-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed
US-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed
US-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed
EP-2707358-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbvie Deutschland GmbH & Co. KG (DE) 2014-03-19 EP disclosed
WO-2013120835-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2013-08-22 WO disclosed
US-20130210880-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE INC. (US) 2013-08-15 US disclosed
US-20130210880-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE INC. (US) 2013-08-15 US disclosed
US-20130210880-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE INC. (US) 2013-08-15 US disclosed
US-20120316153-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-12-13 US disclosed
WO-2012152915-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-15 WO disclosed
WO-2012152915-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-15 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 (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-20130210880-A1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY CYP11B2, CPT1A, SLC10A1 SLC6A9 630/4885KCNH2 236/4885HTR1A 767/4885
US-20120316153-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A11, SLC6A1, KCNB2 SLC6A9 298/4885KCNH2 26/4885HTR1A 258/4885

“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.