SCHEMBL1021332

SCHEMBL1021332

CN1[C@@H]2CC[C@H]1CC(Oc1ccc(N3CCc4cc(OC5CS(=O)(=O)C5)ccc4C3=O)cc1Cl)C2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
OPRK1 P41145 1/20 0.35
AOC3 Q16853 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PRMT5 O14744 4/20 0.34
WDR77 Q9BQA1 4/20 0.34
NR1H4 Q96RI1 1/20 0.34
USP2 O75604 1/20 0.33
USP1 O94782 1/20 0.33
USP8 P40818 1/20 0.33
OTUB1 Q96FW1 1/20 0.33
CYP2D6 P10635 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
SCHEMBL13903198 1.00 HRH3 (0.40) HRH3OPRK1AOC3SLC6A2SLC6A3
SCHEMBL13903175 0.91 HRH3 (0.43) HRH3OPRK1AOC3SLC6A2SLC6A3
SCHEMBL1021547 0.89 HRH3 (0.40) HRH3OPRK1AOC3SLC6A2SLC6A3
SCHEMBL13903194 0.89 HRH3 (0.40) HRH3OPRK1AOC3SLC6A2SLC6A3
SCHEMBL1021549 0.89 HRH3 (0.40) HRH3OPRK1AOC3SLC6A2SLC6A3
SCHEMBL1023791 0.89 HRH3 (0.38) HRH3AOC3CYP2D6
SCHEMBL1023790 0.89 HRH3 (0.38) HRH3AOC3CYP2D6
SCHEMBL4122423 0.87 HRH3 (0.39) HRH3OPRK1AOC3SLC6A2SLC6A3
SCHEMBL13903196 0.87 HRH3 (0.39) HRH3OPRK1AOC3SLC6A2SLC6A3
SCHEMBL14434682 0.85 HRH3 (0.32) HRH3AOC3NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
EP-1987006-B1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US 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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 HRH3 40/4885OPRK1 206/4885AOC3 959/4885

“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.