SCHEMBL3907922

SCHEMBL3907922

Cc1cccc2cccc(N3CCC(O)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC18A3 Q16572 1/20 0.42
SMO Q99835 1/20 0.40
ADRB1 P08588 2/20 0.39
BRD1 O95696 1/20 0.39
TAF1 P21675 1/20 0.39
BRPF1 P55201 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.36
AVPR1A P37288 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3894712 0.91 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2SLC18A3SMO
SCHEMBL3900964 0.91 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2SLC18A3SMO
SCHEMBL3909505 0.91 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2SLC18A3SMO
SCHEMBL3908927 0.82 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2SLC18A3MEN1
SCHEMBL3900405 0.81 PDCD1 (0.41) ALDH1A1KDM4ESLC18A3ADRB1MEN1
SCHEMBL3908940 0.81 GAA (0.46) ALDH1A1KDM4EADRB1MEN1KMT2A
SCHEMBL3436329 0.81 SLC18A3 (0.59) ALDH1A1KDM4ESMN1; SMN2SLC18A3ADRB1
SCHEMBL3901871 0.80 L3MBTL1 (0.47) ALDH1A1KDM4ESLC18A3MEN1KMT2A
SCHEMBL3907604 0.78 AKT1 (0.40) MEN1KMT2ATSHRGAAHRH4
SCHEMBL3897214 0.78 AKT1 (0.40) MEN1KMT2ATSHRGAAHRH4

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 ALDH1A1 175/4885KDM4E 3222/4885SMN1; 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 ALDH1A1 175/4885KDM4E 3222/4885SMN1; 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.