SCHEMBL12095925

SCHEMBL12095925

CN(C)CCCS(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.81
CYP3A4 P08684 1/20 0.81
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 1/20 0.34
BDKRB1 P46663 2/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PARP1 P09874 1/20 0.31
DRD2 P14416 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
SCHEMBL12096245 0.95 SLC6A9 (0.84) SLC6A9CYP3A4HRH3KCNH2BDKRB1
SCHEMBL12096253 0.95 SLC6A9 (0.78) SLC6A9CYP3A4HRH3KCNH2BDKRB1
Fumaric Acid SCHEMBL1864849 0.94 SLC6A9 (0.73) SLC6A9CYP3A4HRH3KCNH2BDKRB1
Hydrochloric Acid SCHEMBL989159 0.94 SLC6A9 (0.76) SLC6A9CYP3A4HRH3KCNH2BDKRB1
SCHEMBL1856786 0.93 SLC6A9 (0.82) SLC6A9CYP3A4BCHEACHEDRD2
SCHEMBL8027664 0.92 SLC6A9 (0.91) SLC6A9CYP3A4KCNH2KDM4EPOLB
Hydrochloric Acid SCHEMBL991011 0.91 SLC6A9 (0.89) SLC6A9CYP3A4KCNH2KDM4EPOLB
SCHEMBL12096081 0.91 SLC6A9 (0.84) SLC6A9CYP3A4KCNH2BDKRB1KDM4E
SCHEMBL12096207 0.90 SLC6A9 (0.82) SLC6A9CYP3A4KCNH2BDKRB1KDM4E
SCHEMBL12096232 0.90 SLC6A9 (0.82) SLC6A9CYP3A4KCNH2KDM4EPOLB

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-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

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 328/4885HRH3 588/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 SLC6A9 73/4885CYP3A4 328/4885HRH3 588/4885

“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.