SCHEMBL3920554

SCHEMBL3920554

C=CCNC(=S)N1CCC2(CC1)NC(CCSC)C(=O)N2Cc1ccccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 4/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
FAAH O00519 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM4 P08173 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL4038594 0.87 P2RX7 (0.33) ALDH1A1MAPTGAAKMT2ARAB9A
SCHEMBL3925602 0.86 GAA (0.36) ALDH1A1GAAKMT2ARAB9ALMNA
SCHEMBL3925919 0.86 KMT2A (0.37) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL3925615 0.85 KDM4E (0.37) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL3916351 0.84 GAA (0.34) ALDH1A1MAPTGAAKMT2ARAB9A
SCHEMBL3927003 0.83 DRD4 (0.39) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL4035028 0.83 FAAH (0.38) KDM4EALDH1A1MAPTGAAFAAH
SCHEMBL3917520 0.82 KDM4E (0.40) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL4042715 0.79 FEN1 (0.33) ALDH1A1MAPTGAAKMT2ARAB9A
SCHEMBL4036440 0.79 TSHR (0.34) ALDH1A1GAAKMT2ARAB9ALMNA

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 KDM4E 2581/4885ALDH1A1 199/4885MAPT 689/4885

“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.