SCHEMBL3923626

SCHEMBL3923626

CC(C)C1NC2(CCN(C(=S)NCc3ccc(F)cc3)CC2)N(Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
PKM P14618 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 3/20 0.43
OPRL1 P41146 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 4/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3914885 0.95 POLB (0.48) ALDH1A1PKMPOLBKDM4EMAPT
SCHEMBL3923612 0.86 ALDH1A1 (0.44) ALDH1A1PKML3MBTL1POLBOPRL1
SCHEMBL3927025 0.83 CYP3A4 (0.44) ALDH1A1POLBKDM4EMAPTGAA
SCHEMBL4042055 0.82 OPRL1 (0.41) ALDH1A1OPRL1KDM4EKMT2AMEN1
SCHEMBL3926266 0.81 MAPT (0.47) ALDH1A1POLBMAPTGAAKMT2A
SCHEMBL3916834 0.79 MEN1 (0.44) ALDH1A1POLBMAPTGAAKMT2A
SCHEMBL3914887 0.79 ALDH1A1 (0.44) ALDH1A1PKML3MBTL1POLBKDM4E
SCHEMBL3917086 0.78 CCR5 (0.36) ALDH1A1KMT2AMEN1
SCHEMBL3916927 0.77 CCR5 (0.36) ALDH1A1
Benzamide SCHEMBL3916106 0.76 GAA (0.39) ALDH1A1GAA

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 5 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
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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 (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 ALDH1A1 199/4885PKM 1588/4885L3MBTL1 4751/4885

“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.