SCHEMBL3919448

SCHEMBL3919448

COc1ccc(S(=O)(=O)N2CCC3(CC2)NCC(=O)N3Cc2ccccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.50
PKLR P30613 2/20 0.50
LMNA P02545 1/20 0.48
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CYP2D6 P10635 1/20 0.45
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL3925395 0.86 PKM (0.42) PKMPKLRLMNAALDH1A1CHRNB2
SCHEMBL3927007 0.85 MEN1 (0.42) PKMPKLRLMNAHSD11B1ALDH1A1
SCHEMBL3917072 0.84 ALDH1A1 (0.48) PKMPKLRLMNAALDH1A1NPC1
SCHEMBL3917070 0.81 ALDH1A1 (0.38) PKMLMNAALDH1A1CYP2D6CYP3A4
SCHEMBL1802555 0.81 USP2 (0.52) ALDH1A1CYP2D6USP2CYP3A4CYP2C9
SCHEMBL1798596 0.79 SMN1; SMN2 (0.49) LMNAALDH1A1RAB9A
SCHEMBL3917077 0.79 PKM (0.38) PKMALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL3925878 0.78 LMNA (0.48) LMNAALDH1A1CYP2D6CYP3A4CYP2C9
SCHEMBL1799247 0.75 ALDH1A1 (0.53) PKMLMNAALDH1A1CYP2D6CYP3A4
SCHEMBL12662897 0.74 CYP2D6 (0.48) LMNAHSD11B1ALDH1A1CYP2D6USP2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO claimed
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 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 (1 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 PKM 1588/4885PKLR 2824/4885LMNA 1640/4885

“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.