SCHEMBL1043883

SCHEMBL1043883

CCS(=O)(=O)N1CCN(c2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CCC2)=NCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.58
SLC6A4 P31645 3/20 0.58
SLC6A3 Q01959 3/20 0.58
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DCAF15 Q66K64 3/20 0.37
HSD11B1 P28845 4/20 0.37
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36
CYP11B1 P15538 1/20 0.36
NR1I2 O75469 3/20 0.36
LSS P48449 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8029703 0.87 MEN1 (0.45) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL989133 0.82 ADRB1 (0.43) SLC6A2SLC6A4SLC6A3DCAF15HSD11B1
SCHEMBL27834606 0.75 HSD11B1 (0.36) HSD11B1ALDH1A1NR1I2LMNASMN1; SMN2
SCHEMBL664677 0.73 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL990296 0.73 HSD11B2 (0.45) SLC6A2SLC6A4SLC6A3DCAF15HSD11B1
SCHEMBL988924 0.73 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HSD11B1NR1I2
SCHEMBL989046 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL990535 0.73 POLB (0.41) KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL990533 0.71 POLB (0.39) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL989723 0.71 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2

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.