SCHEMBL3905754

SCHEMBL3905754

CC(C)(C)OC(=O)N1CCN(CCc2ccccc2-c2cccs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.49
GPR119 Q8TDV5 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ACKR3 P25106 3/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
TGFBR1 P36897 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DTYMK P23919 1/20 0.41

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
SCHEMBL3905748 0.83 GBA1 (0.49) GBA1GPR119CHRM2CHRM4CHRM1
SCHEMBL9744195 0.81 SMN1; SMN2 (0.55) GBA1OPRM1CHRM2CHRM4CHRM1
SCHEMBL6622691 0.81 NOS1 (0.47) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL1955117 0.80 MEN1 (0.49) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL27520691 0.79 GPR119 (0.47) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL5815688 0.78 KDM4E (0.55) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL18889424 0.77 ACHE (0.56) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL5228089 0.77 SMN1; SMN2 (0.53) GBA1CHRM2CHRM4CHRM1CHRM3
SCHEMBL13149626 0.77 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL3906479 0.76 HTR1D (0.52) OPRM1OPRL1SIGMAR1

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-7081463-B2 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) 2006-07-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 GBA1 661/4885GPR119 71/4885OPRM1 14/4885
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 GBA1 661/4885GPR119 71/4885OPRM1 14/4885

“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.