SCHEMBL989577

SCHEMBL989577

Oc1ccc2c(c1)C(C1(c3ccc(F)cc3)CCC1)=NCC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.37
ESR2 Q92731 3/20 0.37
HSD11B1 P28845 5/20 0.35
PBRM1 Q86U86 1/20 0.34
HSD11B2 P80365 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPK14 Q16539 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A9 P48067 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
SCHEMBL988924 0.88 SLC6A2 (0.44) ESR1ESR2HSD11B1PBRM1HSD11B2
SCHEMBL989639 0.82 SLC6A2 (0.46) ESR1ESR2HSD11B1PBRM1SLC6A2
SCHEMBL988390 0.79 SLC6A2 (0.42) ESR1ESR2HSD11B1HSD11B2SLC6A2
SCHEMBL988866 0.78 MAOB (0.36) HSD11B1MAPK14MAOAMAOB
SCHEMBL991714 0.76 SLC6A2 (0.40) ESR1ESR2HSD11B1PBRM1SLC6A2
SCHEMBL989116 0.75 HSD11B1 (0.43) HSD11B1HSD11B2SLC6A2SLC6A4SLC6A3
SCHEMBL990550 0.75 KDM4E (0.38) MAPK14MAOAMAOB
SCHEMBL990348 0.74 CHRNB4 (0.33) PBRM1MAPK14MAOAMAOBSLC6A9
SCHEMBL990296 0.72 HSD11B2 (0.45) HSD11B1HSD11B2SLC6A2SLC6A4SLC6A3
SCHEMBL27834606 0.72 HSD11B1 (0.36) HSD11B1HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US disclosed
CN-102083797-B Tetrahydroisoquinolines, pharmaceutical compositions containing them and their use in therapy ABBOTT GMBH & CO KG 2014-06-04 CN 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
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US disclosed
CN-103224487-A Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT GMBH & CO KG 2013-07-31 CN disclosed
EP-2271625-B1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2012-09-12 EP disclosed
CN-102083797-A Tetrahydroisoquinolines, pharmaceutical compositions containing them and their use in therapy ABBOTT GMBH & CO KG 2011-06-01 CN 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
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott BmbH & Co. KG (DE) 2011-05-05 US disclosed
EP-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 EP disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 WO 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 ESR1 4553/4885ESR2 4304/4885HSD11B1 1303/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 ESR1 4553/4885ESR2 4304/4885HSD11B1 1303/4885

“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.