SCHEMBL988871

SCHEMBL988871

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 6/20 0.39
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
PDE5A O76074 1/20 0.33
MAP4K4 O95819 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A9 P48067 1/20 0.33
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B2 P80365 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
SCHEMBL989554 0.96 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MAOAMAOB
Hydrochloric Acid SCHEMBL990452 0.95 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL989910 0.92 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL988866 0.90 MAOB (0.36) MAOAMAOBHSD11B1MEN1ALDH1A1
SCHEMBL988345 0.88 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL12102161 0.87 KDM4E (0.40) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL989723 0.85 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL4255610 0.85 MAOA (0.40) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL989616 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL988874 0.84 HSD11B1 (0.36) SLC6A4SLC6A3PDE5AMAP4K4CYP3A4

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 7 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-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
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
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

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 SLC6A2 49/4885SLC6A4 61/4885SLC6A3 114/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 SLC6A2 49/4885SLC6A4 61/4885SLC6A3 114/4885

“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.