SCHEMBL615100

SCHEMBL615100

O=S(=O)(NCc1cc2c(cc1F)CC(CN1CCC1)C2Cc1ccccc1)C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.37
SIGMAR1 Q99720 6/20 0.33
KCNH2 Q12809 5/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL627543 0.92 RORC (0.33) SLC6A9ALDH1A1POLBKMT2AHRH3
SCHEMBL614846 0.91 SLC6A9 (0.34) SLC6A9SIGMAR1KCNH2ALDH1A1POLB
SCHEMBL617356 0.91 SCN9A (0.36) SLC6A9SIGMAR1KMT2A
SCHEMBL614594 0.89 HRH3 (0.40) SLC6A9SIGMAR1ALDH1A1KMT2AHRH3
SCHEMBL616115 0.87 SLC6A9 (0.44) SLC6A9SIGMAR1KCNH2ALDH1A1POLB
SCHEMBL616943 0.86 SLC6A9 (0.38) SLC6A9KCNH2LMNAKMT2A
SCHEMBL605875 0.86 SLC6A9 (0.47) SLC6A9KCNH2LMNAKMT2AHRH3
SCHEMBL616939 0.85 SLC6A9 (0.49) SLC6A9SIGMAR1KCNH2HTR1A
SCHEMBL616734 0.85 SLC6A9 (0.41) SLC6A9SIGMAR1KCNH2
SCHEMBL616706 0.84 SLC6A9 (0.33) SLC6A9SIGMAR1KCNH2ALDH1A1KMT2A

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 19 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-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-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
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
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 42/4885SIGMAR1 1413/4885KCNH2 1552/4885
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 SLC6A9 42/4885SIGMAR1 1413/4885KCNH2 1552/4885

“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.