SCHEMBL988889

SCHEMBL988889

CCC(C(Oc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2)C(N)=O)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
HSD11B1 P28845 4/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
DAGLB Q8NCG7 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
NR1I2 O75469 1/20 0.30

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
SCHEMBL988941 0.94 HSD11B1 (0.31) POLBHSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL989706 0.88 POLB (0.32) POLBHSD11B1ALDH1A1
SCHEMBL989684 0.88 HSD11B1 (0.33) HSD11B1SLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL989092 0.82 HSD11B1 (0.32) HSD11B1SLC6A2SLC6A4SLC6A3DAGLB
SCHEMBL4255610 0.79 MAOA (0.40) HSD11B1SLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL989616 0.77 SLC6A2 (0.38) POLBSLC6A2SLC6A4SLC6A3MAOA
SCHEMBL989046 0.76 SLC6A2 (0.47) HSD11B1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL990532 0.76 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL988871 0.76 SLC6A2 (0.39) HSD11B1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL989723 0.74 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1MAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 3669/4885HSD11B1 1303/4885SLC6A2 49/4885

“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.