SCHEMBL3899609

SCHEMBL3899609

c1ccc(CN2CCN(C3Cc4cccc5cccc3c45)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.52
SIGMAR1 Q99720 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
OPRM1 P35372 6/20 0.47
OPRK1 P41145 6/20 0.47
OPRL1 P41146 6/20 0.47
OPRD1 P41143 4/20 0.47
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
MC4R P32245 1/20 0.46
KMT2A Q03164 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR1A P08908 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3901862 0.75 OPRL1 (0.56) OPRM1OPRK1OPRL1OPRD1GRIN2B
SCHEMBL11897951 0.73 CHRM2 (0.53) SMN1; SMN2OPRM1OPRK1OPRL1OPRD1
SCHEMBL550293 0.73 OPRL1 (0.52) OPRM1OPRK1OPRL1OPRD1
SCHEMBL2245724 0.73 OPRL1 (0.52) OPRM1OPRK1OPRL1OPRD1
SCHEMBL13177689 0.73 OPRL1 (0.54) OPRM1OPRK1OPRL1OPRD1
SCHEMBL7883594 0.73 OPRL1 (0.52) OPRM1OPRK1OPRL1OPRD1
SCHEMBL12022257 0.71 OPRL1 (0.54) OPRM1OPRK1OPRL1OPRD1
SCHEMBL14981208 0.71 OPRL1 (0.57) OPRM1OPRK1OPRL1OPRD1
Hydrochloric Acid SCHEMBL9983931 0.70 OPRL1 (0.53) OPRM1OPRK1OPRL1OPRD1
SCHEMBL14981248 0.70 OPRL1 (0.51) OPRM1OPRK1OPRL1OPRD1

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 HCRTR1 32/4885SIGMAR1 278/4885SMN1; SMN2 1882/4885
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 HCRTR1 32/4885SIGMAR1 278/4885SMN1; SMN2 1882/4885

“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.