SCHEMBL1021337

SCHEMBL1021337

Nc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3C2CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.45
OPRM1 P35372 4/20 0.45
KCNH2 Q12809 4/20 0.45
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 3/20 0.39
GRIN1 Q05586 5/20 0.33
GRIN2B Q13224 5/20 0.33
CHRM1 P11229 3/20 0.33
DRD3 P35462 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL1021338 1.00 OPRK1 (0.45) OPRK1OPRM1KCNH2SLC6A3SLC6A2
SCHEMBL1022974 0.88 SLC6A3 (0.53) OPRK1OPRM1KCNH2SLC6A3SLC6A2
SCHEMBL1022975 0.88 SLC6A3 (0.53) OPRK1OPRM1KCNH2SLC6A3SLC6A2
SCHEMBL4176415 0.88 SLC6A3 (0.53) OPRK1OPRM1KCNH2SLC6A3SLC6A2
SCHEMBL22042173 0.81 CSNK2A1 (0.36) OPRK1OPRM1KCNH2SLC6A3SLC6A2
SCHEMBL4114706 0.79 OPRK1 (0.48) OPRK1OPRM1KCNH2SLC6A3SLC6A2
SCHEMBL4114710 0.79 OPRK1 (0.48) OPRK1OPRM1KCNH2SLC6A3SLC6A2
SCHEMBL4114703 0.79 OPRK1 (0.48) OPRK1OPRM1KCNH2SLC6A3SLC6A2
SCHEMBL1022648 0.79 OPRK1 (0.46) OPRK1OPRM1KCNH2SLC6A3SLC6A2
SCHEMBL1022647 0.79 OPRK1 (0.46) OPRK1OPRM1KCNH2SLC6A3SLC6A2

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 OPRK1 206/4885OPRM1 195/4885KCNH2 1583/4885

“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.