SCHEMBL8035902

SCHEMBL8035902

O=S(=O)(NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.74
CYP3A4 P08684 1/20 0.74
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 2/20 0.38
CCR1 P32246 1/20 0.38
HRAS P01112 1/20 0.36
KRAS P01116 1/20 0.36

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
Hydrochloric Acid SCHEMBL991533 0.99 SLC6A9 (0.73) SLC6A9CYP3A4ALDH1A1KDM4EGAA
SCHEMBL8013148 0.96 SLC6A9 (0.78) SLC6A9CYP3A4ALDH1A1HTTMEN1
Hydrochloric Acid SCHEMBL990357 0.95 SLC6A9 (0.77) SLC6A9CYP3A4ALDH1A1HTTMEN1
SCHEMBL8031107 0.94 SLC6A9 (0.72) SLC6A9CYP3A4ALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL988977 0.93 SLC6A9 (0.71) SLC6A9CYP3A4ALDH1A1GAAMEN1
SCHEMBL12096420 0.92 SLC6A9 (0.73) SLC6A9CYP3A4HTTMEN1KMT2A
SCHEMBL8035818 0.92 SLC6A9 (0.75) SLC6A9CYP3A4ALDH1A1HTTMEN1
SCHEMBL12096285 0.92 SLC6A9 (0.72) SLC6A9CYP3A4ALDH1A1HTTMEN1
SCHEMBL8020341 0.91 SLC6A9 (0.69) SLC6A9CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL12096060 0.91 SLC6A9 (0.69) SLC6A9CYP3A4F2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271625-B1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2012-09-12 EP claimed
US-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US disclosed
US-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US disclosed
US-8653100-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2014-02-18 US disclosed
US-8653100-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US disclosed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US disclosed
EP-2271625-B1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2012-09-12 EP disclosed
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott BmbH & Co. KG (DE) 2011-05-05 US disclosed
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott BmbH & Co. KG (DE) 2011-05-05 US disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 WO 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-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GOLT1B, SLC10A1, SUGT1 SLC6A9 73/4885CYP3A4 328/4885ALDH1A1 1730/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 SLC6A9 73/4885CYP3A4 328/4885ALDH1A1 1730/4885

“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.