SCHEMBL3923612

SCHEMBL3923612

C=CCN1C(=O)C(C(C)C)NC12CCN(C(=S)NCc1ccc(F)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
PKM P14618 2/20 0.38
HTR2A P28223 1/20 0.36
OPRL1 P41146 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 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
SCHEMBL3923626 0.86 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1PKM
SCHEMBL4032710 0.82 OPRL1 (0.34) ALDH1A1KMT2AMEN1HTR2AOPRL1
SCHEMBL3925383 0.82 MAPK1 (0.37) ALDH1A1KMT2AMEN1POLBMAPK1
SCHEMBL3914885 0.80 POLB (0.48) ALDH1A1KMT2AMEN1PKMPOLB
SCHEMBL3922889 0.79 MEN1 (0.31) KMT2AMEN1
SCHEMBL3916834 0.77 MEN1 (0.44) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL3926273 0.76 FAAH (0.32)
SCHEMBL3916498 0.75 GAA (0.44) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL3926266 0.75 MAPT (0.47) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL3917658 0.73

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 199/4885L3MBTL1 4751/4885KMT2A 4051/4885

“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.