SCHEMBL989639

SCHEMBL989639

Oc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CC1)=NCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
SLC6A9 P48067 1/20 0.39
PBRM1 Q86U86 1/20 0.36
ESR1 P03372 5/20 0.35
ESR2 Q92731 4/20 0.35
HSD11B1 P28845 3/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
EED O75530 1/20 0.34
DCAF15 Q66K64 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA1 P00915 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
SCHEMBL988924 0.95 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3SLC6A9PBRM1
SCHEMBL991714 0.88 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3SLC6A9PBRM1
SCHEMBL988390 0.86 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SLC6A9ESR1
SCHEMBL989577 0.82 ESR1 (0.37) SLC6A2SLC6A4SLC6A3SLC6A9PBRM1
SCHEMBL989662 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL4407876 0.81 MAOA (0.36) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL27834606 0.80 HSD11B1 (0.36) HSD11B1CCNB2CDK1CCNB1GSK3B
SCHEMBL990296 0.80 HSD11B2 (0.45) SLC6A2SLC6A4SLC6A3HSD11B1CCNB2
SCHEMBL989046 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HSD11B1MAOA
SCHEMBL989116 0.77 HSD11B1 (0.43) SLC6A2SLC6A4SLC6A3HSD11B1

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 10 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
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.