SCHEMBL8029503

SCHEMBL8029503

CS(=O)(=O)NCCOc1cc2c(cc1F)CCNC2C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.61
CYP3A4 P08684 2/20 0.61
SCN9A Q15858 8/20 0.34
PKM P14618 1/20 0.33
GRIN2D O15399 4/20 0.32
GRIN3B O60391 4/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2A Q12879 4/20 0.32
GRIN2B Q13224 4/20 0.32
GRIN2C Q14957 4/20 0.32
GRIN3A Q8TCU5 4/20 0.32
IDO1 P14902 1/20 0.31
SCN5A Q14524 1/20 0.31
TRPV1 Q8NER1 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
Hydrochloric Acid SCHEMBL991009 0.99 SLC6A9 (0.60) SLC6A9CYP3A4SCN9APKMGRIN2D
SCHEMBL989781 0.90 SLC6A9 (0.76) SLC6A9CYP3A4SCN9APKMGRIN2D
Hydrochloric Acid SCHEMBL989769 0.90 SLC6A9 (0.75) SLC6A9CYP3A4SCN9APKM
SCHEMBL8025589 0.89 SLC6A9 (0.56) SLC6A9CYP3A4SCN9A
Hydrochloric Acid SCHEMBL990177 0.88 SLC6A9 (0.56) SLC6A9CYP3A4SCN9A
SCHEMBL989875 0.85 SLC6A9 (0.81) SLC6A9CYP3A4
SCHEMBL8026429 0.85 SLC6A9 (0.53) SLC6A9CYP3A4SCN9A
SCHEMBL4259234 0.85 SLC6A9 (0.56) SLC6A9CYP3A4SCN9APKMGRIN2D
Hydrochloric Acid SCHEMBL988809 0.85 SLC6A9 (0.52) SLC6A9CYP3A4SCN9A
Hydrochloric Acid SCHEMBL4258691 0.84 SLC6A9 (0.55) SLC6A9CYP3A4SCN9APKMGRIN2D

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 328/4885SCN9A 1850/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 SLC6A9 73/4885CYP3A4 328/4885SCN9A 1850/4885

“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.