SCHEMBL989686

SCHEMBL989686

NCc1ccc2c(c1)C(C1(c3ccccn3)CCC1)N(C(=O)O)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
OPRD1 P41143 2/20 0.33
MTNR1B P49286 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
HSD11B1 P28845 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
DRD3 P35462 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8027135 0.88 GHSR (0.40) OPRD1
SCHEMBL989840 0.86 DRD1 (0.37) CNR2OPRD1HSD11B1DRD2HTR2A
SCHEMBL989087 0.83 HSD11B1 (0.38) CNR2HSD11B1HRH3DRD2DRD3
SCHEMBL1862538 0.82 SLC6A9 (0.47) OPRD1CYP2D6
SCHEMBL1860675 0.79 HSD11B1 (0.37) MTNR1BHSD11B1HRH3DRD2DRD4
SCHEMBL8027935 0.74 ESR2 (0.42)
Oxalic Acid SCHEMBL7529629 0.74 DRD1 (0.41) OPRD1HTR1ADRD2HTR2ALMNA
SCHEMBL7419935 0.72 DRD1 (0.42) OPRD1DRD2DRD4HTR2ADRD3
SCHEMBL8033549 0.71 DRD2 (0.39) HSD11B1DRD2
SCHEMBL7529635 0.71 ACHE (0.35) OPRD1MTNR1BHRH3ALDH1A1MAPT

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 9 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
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-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
EP-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 EP 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 CNR2 753/4885LOX 3758/4885LOXL2 3217/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 CNR2 753/4885LOX 3758/4885LOXL2 3217/4885

“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.