SCHEMBL617677

SCHEMBL617677

CNCC1Cc2cc(F)c(OCCNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.46
KCNH2 Q12809 1/20 0.35
HTR1A P08908 6/20 0.34
HTR7 P34969 6/20 0.34
NPY5R Q15761 1/20 0.33
DRD2 P14416 1/20 0.33
HTR6 P50406 1/20 0.33
GLRA3 O75311 1/20 0.33

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
SCHEMBL616055 0.93 SLC6A9 (0.46) SLC6A9KCNH2HTR1AHTR7DRD2
SCHEMBL615019 0.93 SLC6A9 (0.48) SLC6A9KCNH2HTR1AHTR7DRD2
SCHEMBL614274 0.92 SLC6A9 (0.46) SLC6A9KCNH2HTR1AHTR7HTR6
SCHEMBL607177 0.91 SLC6A9 (0.47) SLC6A9KCNH2HTR1AHTR7NPY5R
SCHEMBL617264 0.90 SLC6A9 (0.56) SLC6A9KCNH2HTR1AHTR7DRD2
SCHEMBL614667 0.89 SLC6A9 (0.44) SLC6A9KCNH2HTR1AHTR7NPY5R
SCHEMBL617041 0.88 SLC6A9 (0.39) SLC6A9NPY5RHTR6
SCHEMBL614656 0.88 SLC6A9 (0.49) SLC6A9KCNH2
SCHEMBL615199 0.86 SLC6A9 (0.37) SLC6A9NPY5RHTR6
SCHEMBL604390 0.86 SLC6A9 (0.47) SLC6A9KCNH2HTR1AHTR7DRD2

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 12 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
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
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-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 1552/4885HTR1A 991/4885
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 SLC6A9 42/4885KCNH2 1552/4885HTR1A 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.