SCHEMBL3906605

SCHEMBL3906605

CC(O)(c1ccccc1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS12 O14924 1/20 0.44
KIF11 P52732 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
NR1H2 P55055 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM3 P20309 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
ESR1 P03372 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
ESR2 Q92731 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL5731973 0.85 CNR1 (0.41) RGS12CNR1CNR2ALDH1A1TSHR
SCHEMBL2390819 0.79 RGS12 (0.43) RGS12KIF11CNR1NR1H2ALDH1A1
SCHEMBL27564815 0.79 CNR1 (0.49) RGS12KIF11CNR1CNR2NR1H2
SCHEMBL2390466 0.79 RGS12 (0.43) RGS12KIF11CNR1CNR2NR1H2
SCHEMBL29064510 0.79 ESR1 (0.43) RGS12KIF11CNR1CNR2ALDH1A1
SCHEMBL5164470 0.76
SCHEMBL14777822 0.76
SCHEMBL12006685 0.76 CNR1 (0.41) RGS12CNR1CNR2ALDH1A1TSHR
SCHEMBL8690413 0.76 CYP3A4 (0.38) ALDH1A1CYP3A4ALOX15TSHRCYP2C19
SCHEMBL5934615 0.76 HDAC3 (0.46) RGS12KIF11CNR1CNR2ALDH1A1

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 23 patents — showing the first 20. 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-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2012-08-23 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-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 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
CN-100402529-C Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2008-07-16 CN disclosed
CN-1281320-C Complex catalyst process for producing the complex catalyst and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL CO (JP) 2006-10-25 CN 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
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
CN-1694883-A Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 CN 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
CN-1503696-A Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative using the complex catalyst ס�ѻ�ѧ��ҵ��ʽ���� 2004-06-09 CN 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 (5 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 RGS12 604/4885KIF11 2623/4885CNR1 91/4885
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 RGS12 675/4885KIF11 2477/4885CNR1 86/4885
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA RGS12 2480/4885KIF11 3667/4885CNR1 2767/4885
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 RGS12 675/4885KIF11 2477/4885CNR1 86/4885
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA RGS12 2480/4885KIF11 3667/4885CNR1 2767/4885

“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.