SCHEMBL3904640

SCHEMBL3904640

O=C1NCN([C@H](c2ccc(F)cc2)C2CO2)C12CCN(Cc1c(Cl)cccc1C(F)(F)F)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.47
OPRK1 P41145 7/20 0.47
OPRL1 P41146 7/20 0.47
OPRD1 P41143 6/20 0.47
C5AR1 P21730 1/20 0.40
DRD3 P35462 4/20 0.39
CYP1A2 P05177 3/20 0.39
ADRB1 P08588 3/20 0.39
CYP2D6 P10635 3/20 0.39
DRD2 P14416 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
ADRA1A P35348 3/20 0.39
HRH1 P35367 3/20 0.39
HTR2B P41595 3/20 0.39
HTR6 P50406 3/20 0.39
SLC6A3 Q01959 3/20 0.39
CACNA1C Q13936 2/20 0.39

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
SCHEMBL3904638 1.00 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1C5AR1
SCHEMBL3894875 0.82 OPRL1 (0.43) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL3905784 0.79 OPRM1 (0.68) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL3909556 0.75 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL3894906 0.71 OPRL1 (0.65) OPRM1OPRK1OPRL1OPRD1
SCHEMBL3896843 0.71 OPRL1 (0.65) OPRM1OPRK1OPRL1OPRD1
SCHEMBL3905760 0.70 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1C5AR1
SCHEMBL11919301 0.70 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1C5AR1
SCHEMBL3898155 0.65 TACR1 (0.31) DRD2KCNH2SIGMAR1TACR1
SCHEMBL10733564 0.61 OPRM1 (0.84) OPRM1OPRK1OPRL1OPRD1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778956-B2 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
EP-1601674-B1 Hydroxyalkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2012-08-08 EP disclosed
US-7582649-B2 Oral administration of a dosage of 3-(3-amino-2-(R)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one and a carrier; opiod receptor-like-1 G-protein coupled receptor inhibitors; psychological disorders; nervous system disorders; antidiabetic agents JANSSEN PHARMACEUTICA, NV (BE) 2009-09-01 US disclosed
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS BATTISTA KATHLEEN 2009-05-14 US disclosed
US-20060030577-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders BATTISTA KATHLEEN 2006-02-09 US disclosed
US-20040142955-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1receptor mediated disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-07-22 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 (3 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-20040142955-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1receptor mediated disorders OPRL1, GPR4, ADRA1D OPRM1 21/4885OPRK1 5/4885OPRL1 1/4885
US-20060030577-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders OPRL1, ADRA1D, OPRD1 OPRM1 14/4885OPRK1 4/4885OPRL1 1/4885
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS OPRL1, ADRA1D, OPRD1 OPRM1 14/4885OPRK1 4/4885OPRL1 1/4885

“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.