SCHEMBL1037786

SCHEMBL1037786

Cc1cccc2cccc(CN3CCC4(CC3)C(=O)N(C[C@@H](O)CN)CN4c3ccc(F)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.49
OPRM1 P35372 7/20 0.49
OPRK1 P41145 2/20 0.43
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1037782 1.00 OPRL1 (0.49) OPRL1OPRM1OPRK1MEN1TP53
SCHEMBL1037784 1.00 OPRL1 (0.49) OPRL1OPRM1OPRK1MEN1TP53
SCHEMBL14093676 0.93 OPRL1 (0.50) OPRL1OPRM1OPRK1
SCHEMBL1383116 0.90 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL3899378 0.90 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL1383110 0.90 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL1383111 0.90 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL3899390 0.90 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL3899383 0.90 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL3893869 0.88 OPRL1 (0.49) OPRL1OPRM1OPRK1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276481-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP claimed
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 claimed
JP-4712384-B2 2011-06-29 JP claimed
EP-2276481-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY Janssen Pharmaceutica, N.V. (BE) 2011-01-26 EP claimed
WO-2009120189-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 WO claimed
US-20090247616-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 US claimed
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 claimed
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 claimed
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 claimed
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 claimed
EP-1601674-A2 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 N.V. (BE) 2005-12-07 EP claimed
WO-2004022558-A2 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, N.V. (BE) 2004-03-18 WO claimed
EP-2102206-B1 SALTS 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 JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
EP-2102206-B1 SALTS 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 JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
CN-103202840-B Salts 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 JANSSEN PHARMACEUTICA NV 2015-02-11 CN disclosed
EP-2276481-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP 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
EP-1601674-A2 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 N.V. (BE) 2005-12-07 EP 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
WO-2004022558-A2 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, N.V. (BE) 2004-03-18 WO 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 (4 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 OPRL1 1/4885OPRM1 21/4885OPRK1 5/4885
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 OPRL1 1/4885OPRM1 14/4885OPRK1 4/4885
US-20090247616-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY GABBR1, GABBR2, XDH OPRL1 298/4885OPRM1 285/4885OPRK1 389/4885
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 OPRL1 1/4885OPRM1 14/4885OPRK1 4/4885

“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.