SCHEMBL606797

SCHEMBL606797

O=S(=O)(CC1CC1)NCc1cc2c(cc1F)CC(N1CCC1)C2Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.45
KCNH2 Q12809 6/20 0.45
GALR3 O60755 1/20 0.42
MCOLN2 Q8IZK6 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MCOLN1 Q9GZU1 1/20 0.33
PLA2G1B P04054 1/20 0.33
PKM P14618 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL603679 0.90 SLC6A9 (0.47) SLC6A9KCNH2
SCHEMBL606348 0.89 SLC6A9 (0.55) SLC6A9KCNH2
SCHEMBL604552 0.89 SLC6A9 (0.46) SLC6A9KCNH2PKM
SCHEMBL10206107 0.89 SLC6A9 (0.53) SLC6A9KCNH2GALR3
SCHEMBL603794 0.88 SLC6A9 (0.38) SLC6A9KCNH2GALR3MCOLN2MCOLN3
SCHEMBL615535 0.88 GALR3 (0.41) SLC6A9KCNH2GALR3
SCHEMBL10206121 0.86 SLC6A9 (0.55) SLC6A9KCNH2GALR3
SCHEMBL606718 0.85 SLC6A9 (0.43) SLC6A9KCNH2GALR3TRPV1
SCHEMBL615175 0.83 GALR3 (0.40) SLC6A9KCNH2GALR3TRPV1
SCHEMBL606725 0.82 SLC6A9 (0.41) SLC6A9KCNH2GALR3MCOLN2MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227930-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2016-01-05 US claimed
US-20140309206-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES 2014-10-16 US claimed
US-8846743-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-09-30 US claimed
EP-2603481-B1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2014-09-17 EP claimed
EP-2603481-A2 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2013-06-19 EP claimed
WO-2012020131-A2 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO claimed
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 US claimed
US-9227930-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2016-01-05 US disclosed
US-20140309206-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES 2014-10-16 US disclosed
US-8846743-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-09-30 US disclosed
US-8846743-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-09-30 US disclosed
US-8846743-B2 Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-09-30 US disclosed
EP-2603481-B1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2014-09-17 EP disclosed
EP-2603481-B1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2014-09-17 EP disclosed
WO-2012020131-A2 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO disclosed
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 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-20140309206-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, GFPT1 SLC6A9 37/4885KCNH2 1835/4885GALR3 1255/4885
US-20120040948-A1 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, GFPT1 SLC6A9 37/4885KCNH2 1835/4885GALR3 1255/4885

“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.