SCHEMBL616944

SCHEMBL616944

CNCC1Cc2cc(F)c(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.48
KCNH2 Q12809 1/20 0.41
ADRA1D P25100 1/20 0.33
F10 P00742 1/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
HTR6 P50406 3/20 0.32
BCHE P06276 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 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
SCHEMBL617083 0.92 SLC6A9 (0.49) SLC6A9KCNH2ADRA1D
SCHEMBL616585 0.91 SLC6A9 (0.57) SLC6A9KCNH2
SCHEMBL607112 0.91 SLC6A9 (0.55) SLC6A9KCNH2ADRA1D
SCHEMBL614482 0.89 SLC6A9 (0.46) SLC6A9KCNH2HTR6
SCHEMBL617952 0.88 SLC6A9 (0.43) SLC6A9KCNH2ADRA1DF10ADRA1A
SCHEMBL614203 0.87 SLC6A9 (0.46) SLC6A9KCNH2F10ADRA1AADRA1B
SCHEMBL616521 0.87 SLC6A9 (0.41) SLC6A9KCNH2
SCHEMBL617025 0.87 SLC6A9 (0.62) SLC6A9KCNH2
SCHEMBL617452 0.85 SLC6A9 (0.38) SLC6A9KCNH2
SCHEMBL603895 0.84 SLC6A9 (0.56) SLC6A9KCNH2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US claimed
US-8883839-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-11 US claimed
EP-2709987-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2014-03-26 EP claimed
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-22 US claimed
WO-2012020133-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO claimed
US-20120040947-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 US claimed
US-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed
US-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed
US-8883839-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-11 US disclosed
US-8883839-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-11 US disclosed
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-22 US disclosed
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-22 US disclosed
WO-2012020133-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO disclosed
US-20120040947-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-20120040947-A1 TETRALINE AND INDANE 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-20120040947-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 SLC6A9 42/4885KCNH2 1552/4885ADRA1D 662/4885
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 SLC6A9 42/4885KCNH2 1552/4885ADRA1D 662/4885

“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.