SCHEMBL3639817

SCHEMBL3639817

CC1CCC(C(C)C)[C](c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.37
KCNA5 P22460 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9119007 0.76 TP53 (0.42) KDM4ENPC1L3MBTL1TRPM8ALDH1A1
SCHEMBL7540735 0.74 NPC1 (0.45) KDM4ENPC1L3MBTL1ALDH1A1ACHE
SCHEMBL292870 0.73 CHRM2 (0.40) KDM4ENPC1L3MBTL1ALDH1A1LMNA
SCHEMBL8183218 0.72 VCP (0.42) KDM4ENPC1ALDH1A1NPSR1MEN1
SCHEMBL8183221 0.71 SLC6A4 (0.47) KDM4ENPC1L3MBTL1ALDH1A1LMNA
SCHEMBL581261 0.71 NPC1 (0.41) NPC1L3MBTL1ALDH1A1ACHE
SCHEMBL8984219 0.71 NPC1 (0.38) KDM4ENPC1L3MBTL1KCNA5ALDH1A1
Biphenyl SCHEMBL560539 0.69 TRPM8 (0.43) KDM4ETRPM8KCNA5ALDH1A1LMNA
SCHEMBL9130854 0.67 ALDH1A1 (0.42) ALDH1A1ACHEKMT2AMAOAMAOB
SCHEMBL28431861 0.67 ALDH1A1 (0.42) ALDH1A1ACHEKMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000493-B2 Process and intermediates for the synthesis of 8-[{1-(3,5-bis-(trifluoromethyl)phenyl)-ethoxy}-methyl]-8-phenyl-1,7-diaza-spiro[4.5]decan-2-one compounds OPKO HEALTH, INC. (US) 2018-06-19 US claimed
US-9260428-B2 Process and intermediates for the synthesis of 8-[{1-(3,5-bis-(trifluoromethyl)phenyl)-ethoxy}-methyl]-8-phenyl-1,7-diaza-spiro[4.5]decan-2-one compounds OPKO HEALTH, INC. (US) 2016-02-16 US claimed
EP-2164832-A1 PROCESS FOR PREPARING 2-(2-PYRIDYLMETHYL)-SULFINYL-1H-BENZIMIDAZOLES AND THE INTERMEDIATE COMPOUNDS USED THEREIN Química Sintética, S.A. (ES) 2010-03-24 EP claimed
WO-2008142006-A9 PROCESS FOR PREPARING 2-(2-PYRIDYLMETHYL)-SULFINYL-1H-BENZIMIDAZOLES AND THE INTERMEDIATE COMPOUNDS USED THEREIN CHEMO IBÉRICA, S.A. (ES) 2009-09-24 WO claimed
WO-2008142006-A1 PROCESS FOR PREPARING 2-(2-PYRIDYLMETHYL)-SULFINYL-1H-BENZIMIDAZOLES AND THE INTERMEDIATE COMPOUNDS USED THEREIN CHEMO IBÉRICA, S.A. (ES) 2008-11-27 WO claimed
US-5688990-A FORMING CHEMICAL INTERMEDIATES FOR AZETIDINONE COMPOUNDS THAT INHIBIT CHOLESTEROL BIOSYNTHESIS FOR PREVENTION OF ATHEROSCLEROSIS SHANKAR BANDARPALLE B (US) 1997-11-18 US claimed
EP-0751934-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1997-01-08 EP claimed
WO-1995026334-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1995-10-05 WO claimed
US-5455317-A Homogeneous catalysts for stereoregular olefin polymerization NORTHWESTERN UNIVERSITY (US) 1995-10-03 US claimed
US-5330948-A Homogeneous catalysts for stereoregular olefin polymerization NORTHWESTERN UNIVERSITY (US) 1994-07-19 US claimed
US-5312881-A Coordination catalysts with metal cyclopentadiene compounds NORTHWESTERN UNIVERSITY (US) 1994-05-17 US claimed
JP-3133944-A None JP disclosed
US-10000493-B2 Process and intermediates for the synthesis of 8-[{1-(3,5-bis-(trifluoromethyl)phenyl)-ethoxy}-methyl]-8-phenyl-1,7-diaza-spiro[4.5]decan-2-one compounds OPKO HEALTH, INC. (US) 2018-06-19 US disclosed
US-20170008893-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 8-[-METHYL]-8-PHENYL-1,7-DIAZA-SPIRO[4.5]DECAN-2-ONE COMPOUNDS TERSERA THERAPEUTICS LLC 2017-01-12 US disclosed
CN-103665038-B A kind of carbon phosphorus chirality dialkyl phosphine oxide and synthetic method thereof LIAOCHENG UNIVERSITY (CN) 2015-11-25 CN disclosed
US-5627176-A MIXED WITH CHOLESTEROL BIOSYNTHESIS INHIBITOR; PREVENTING ATHEROSCLEROSIS SCHERING CORPORATION (US) 1997-05-06 US disclosed
EP-0751934-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1997-01-08 EP disclosed
WO-1995026334-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1995-10-05 WO disclosed
US-5312881-A Coordination catalysts with metal cyclopentadiene compounds NORTHWESTERN UNIVERSITY (US) 1994-05-17 US disclosed
JP-H03133944-A ASYMMETRIC QUATERNARY CARBON COMPOUND, ITS PRODUCTION AND NEW ASYMMETRIC SYNTHESIS USING THE SAME MITSUI TOATSU CHEM INC 1991-06-07 JP 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-20170008893-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 8-[-METHYL]-8-PHENYL-1,7-DIAZA-SPIRO[4.5]DECAN-2-ONE COMPOUNDS SLC30A7, KAT7, KAT8 KDM4E 934/4885NPC1 3670/4885L3MBTL1 4549/4885
US-10000493-B2 Process and intermediates for the synthesis of 8-[{1-(3,5-bis-(trifluoromethyl)phenyl)-ethoxy}-methyl]-8-phenyl-1,7-diaza-spiro[4.5]decan-2-one compounds SLC30A7, KAT7, ZNF787 KDM4E 1144/4885NPC1 3558/4885L3MBTL1 4530/4885

“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.