SCHEMBL990296

SCHEMBL990296

Nc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B2 P80365 3/20 0.45
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 10/20 0.36
PDE5A O76074 1/20 0.35
MAP4K4 O95819 1/20 0.35
NR1I2 O75469 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
EED O75530 1/20 0.33
DCAF15 Q66K64 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 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
SCHEMBL27834606 0.85 HSD11B1 (0.36) HSD11B2BACE1ALDH1A1HSD11B1NR1I2
SCHEMBL988924 0.85 SLC6A2 (0.44) HSD11B2HSD11B1NR1I2SLC6A2SLC6A4
SCHEMBL989046 0.82 SLC6A2 (0.47) ALDH1A1HSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL27814851 0.82 HSD11B1 (0.43) HSD11B1NR1I2SLC6A2SLC6A4SLC6A3
SCHEMBL988871 0.80 SLC6A2 (0.39) HSD11B2ALDH1A1L3MBTL1HSD11B1PDE5A
SCHEMBL989639 0.80 SLC6A2 (0.46) HSD11B1SLC6A2SLC6A4SLC6A3EED
SCHEMBL988390 0.79 SLC6A2 (0.42) HSD11B2HSD11B1NR1I2SLC6A2SLC6A4
SCHEMBL989133 0.78 ADRB1 (0.43) HSD11B1NR1I2SLC6A2SLC6A4SLC6A3
SCHEMBL4255610 0.78 MAOA (0.40) L3MBTL1HSD11B1MAP4K4SLC6A2SLC6A4
SCHEMBL989116 0.77 HSD11B1 (0.43) HSD11B2HSD11B1NR1I2SLC6A2SLC6A4

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 17 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
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
EP-2271625-B1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2012-09-12 EP 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
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 HSD11B2 1701/4885BACE1 1243/4885ALDH1A1 1730/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 HSD11B2 1701/4885BACE1 1243/4885ALDH1A1 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.