SCHEMBL617832

SCHEMBL617832

Cn1cc(S(=O)(=O)NCCc2cc3c(cc2F)CC(CN2CCC2)C3Cc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.40
GALR3 O60755 1/20 0.34
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
SETD7 Q8WTS6 3/20 0.32
BRS3 P32247 2/20 0.32
OPRK1 P41145 2/20 0.32
MLNR O43193 1/20 0.32
ADRA2B P18089 1/20 0.32
MLN P12872 1/20 0.32
ADORA2B P29275 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
IGF1R P08069 1/20 0.31
SYK P43405 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 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
SCHEMBL615073 0.93 SLC6A9 (0.38) SLC6A9GALR3SETD7BRS3OPRK1
SCHEMBL615040 0.92 SLC6A9 (0.38) SLC6A9HTR6
SCHEMBL616420 0.91 SLC6A9 (0.38) SLC6A9HTR1AHTR7HTR6
SCHEMBL617218 0.90 SLC6A9 (0.40) SLC6A9HTR7HTR6
SCHEMBL614901 0.90 SLC6A9 (0.43) SLC6A9GALR3HTR1AHTR2AHTR2C
SCHEMBL616584 0.90 SLC6A9 (0.40) SLC6A9GALR3HTR1AHTR2AHTR2C
SCHEMBL616513 0.89 SLC6A9 (0.47) SLC6A9GALR3HTR1AHTR2AHTR2C
SCHEMBL614259 0.88 SLC6A9 (0.54) SLC6A9
SCHEMBL616498 0.85 SLC6A9 (0.41) SLC6A9GALR3HRH3CARM1PRMT6
SCHEMBL614261 0.84 POLB (0.36) SLC6A9

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 16 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
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
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
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 42/4885GALR3 462/4885HTR1A 991/4885
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 SLC6A9 42/4885GALR3 462/4885HTR1A 991/4885

“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.