SCHEMBL12096166

SCHEMBL12096166

O=S(=O)(NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2)C1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.73
CYP3A4 P08684 1/20 0.73
KDM1A O60341 2/20 0.36
SLC2A1 P11166 1/20 0.36
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL989038 0.99 SLC6A9 (0.72) SLC6A9CYP3A4KDM1ASLC2A1KCNH2
SCHEMBL8033371 0.96 SLC6A9 (0.77) SLC6A9CYP3A4SLC2A1KCNH2KDM4E
SCHEMBL8029762 0.95 SLC6A9 (0.71) SLC6A9CYP3A4KDM1ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL991529 0.95 SLC6A9 (0.75) SLC6A9CYP3A4SLC2A1KCNH2KDM4E
Hydrochloric Acid SCHEMBL990096 0.94 SLC6A9 (0.70) SLC6A9CYP3A4KDM1ASLC2A1KCNH2
SCHEMBL4253404 0.93 SLC6A9 (0.74) SLC6A9CYP3A4KDM1ASLC2A1KCNH2
SCHEMBL8024609 0.91 SLC6A9 (0.70) SLC6A9CYP3A4KDM1ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL990322 0.91 SLC6A9 (0.69) SLC6A9CYP3A4KDM1ASLC2A1KCNH2
SCHEMBL12096175 0.88 SLC6A9 (0.66) SLC6A9CYP3A4KCNH2
SCHEMBL989875 0.88 SLC6A9 (0.81) SLC6A9CYP3A4KCNH2KDM4E

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 9 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
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

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 328/4885KDM1A 2843/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 SLC6A9 73/4885CYP3A4 328/4885KDM1A 2843/4885

“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.