SCHEMBL990535

SCHEMBL990535

CCOC(=O)N1CCN(S(=O)(=O)N(CC)Oc2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CCC2)=NCC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
APP P05067 3/20 0.37
GAA P10253 3/20 0.37
ADRB2 P07550 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HRH1 P35367 2/20 0.34
HRH2 P25021 1/20 0.34
SLC6A15 Q9H2J7 1/20 0.34

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
SCHEMBL990533 0.83 POLB (0.39) POLBMAPTALDH1A1APPGAA
SCHEMBL989693 0.74 LMNA (0.45) POLBMAPTALDH1A1GAASMN1; SMN2
SCHEMBL8023929 0.74 SLC6A9 (0.38) POLBALDH1A1SMN1; SMN2KDM4EPKM
SCHEMBL4255610 0.73 MAOA (0.40) MAPTSMN1; SMN2KMT2A
SCHEMBL988889 0.73 POLB (0.33) POLBALDH1A1
SCHEMBL1043883 0.73 SLC6A2 (0.58) POLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL990370 0.73 L3MBTL1 (0.41) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL989046 0.72 SLC6A2 (0.47) MAPTALDH1A1KDM4EKMT2A
SCHEMBL988941 0.72 HSD11B1 (0.31) POLBALDH1A1KMT2A
SCHEMBL989625 0.71 POLB (0.43) POLBMAPTALDH1A1SMN1; SMN2KDM4E

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 POLB 3669/4885MAPT 442/4885ALDH1A1 1730/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 POLB 3669/4885MAPT 442/4885ALDH1A1 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.