SCHEMBL4114706

SCHEMBL4114706

CC(C)(O)CN1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(N)cc1F)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.48
KCNH2 Q12809 13/20 0.48
OPRM1 P35372 9/20 0.48
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
OPRD1 P41143 4/20 0.35
TYRO3 Q06418 1/20 0.35

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
SCHEMBL4114710 1.00 OPRK1 (0.48) OPRK1KCNH2OPRM1GRIN1GRIN2B
SCHEMBL4114703 1.00 OPRK1 (0.48) OPRK1KCNH2OPRM1GRIN1GRIN2B
SCHEMBL1025315 0.89 OPRK1 (0.43) OPRK1KCNH2OPRM1GRIN1GRIN2B
SCHEMBL1025314 0.89 OPRK1 (0.43) OPRK1KCNH2OPRM1GRIN1GRIN2B
SCHEMBL1022974 0.82 SLC6A3 (0.53) OPRK1KCNH2OPRM1SLC6A2SLC6A3
SCHEMBL1022975 0.82 SLC6A3 (0.53) OPRK1KCNH2OPRM1SLC6A2SLC6A3
SCHEMBL4176415 0.82 SLC6A3 (0.53) OPRK1KCNH2OPRM1SLC6A2SLC6A3
SCHEMBL1022408 0.81 OPRM1 (0.45) OPRK1KCNH2OPRM1GRIN1GRIN2B
SCHEMBL1022409 0.81 OPRM1 (0.45) OPRK1KCNH2OPRM1GRIN1GRIN2B
SCHEMBL1022406 0.81 OPRM1 (0.45) OPRK1KCNH2OPRM1GRIN1GRIN2B

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-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US 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 206/4885KCNH2 1583/4885OPRM1 195/4885

“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.