SCHEMBL3897130

SCHEMBL3897130

CCCC(O[C]=O)c1cccc2cccc(C)c12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAPK1 P28482 1/20 0.32
KCNH2 Q12809 1/20 0.30
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL11002882 0.84 MAPK1 (0.33) SLC6A2MAPK1KCNH2
SCHEMBL7109903 0.79 AOC3 (0.44) SLC6A2SLC6A4GPR84
SCHEMBL11004428 0.75 PPARG (0.36) SLC6A2MAPK1KCNH2
SCHEMBL9200434 0.73 TSHR (0.44) GPR84
SCHEMBL11002884 0.72 ALDH1A1 (0.36) SLC6A2SLC6A4
SCHEMBL9572562 0.71 AOC3 (0.43) SLC6A4
SCHEMBL2422880 0.71 ADRA2A (0.33) SLC6A2MAPK1KCNH2
SCHEMBL9572511 0.70 KDM4E (0.43) SLC6A4
SCHEMBL1432767 0.68 AOC3 (0.39) SLC6A2SLC6A4KCNH2GPR84
SCHEMBL9572839 0.68 PPARG (0.44) SLC6A2SLC6A4KCNH2

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 4 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
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

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 ELANE 2034/4885SLC6A2 707/4885SLC6A4 408/4885
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 ELANE 2034/4885SLC6A2 707/4885SLC6A4 408/4885

“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.