SCHEMBL1798787

SCHEMBL1798787

CCC(C(=O)O)N1C(=O)C(CCSC)NC12CCN(C(=O)c1cc(C(C)(C)C)nn1C)CC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 3/20 0.37
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
LMNA P02545 2/20 0.32
GALR3 O60755 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.31
CTSL P07711 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2932751 0.85 NAMPT (0.38) NAA50NAMPTKDM4EGRNSORT1
SCHEMBL1800672 0.82 NAMPT (0.37) NAA50NAMPTKDM4EGRNSORT1
SCHEMBL1803756 0.82 TPSAB1 (0.31) NAMPTMEN1KMT2A
SCHEMBL1799557 0.82 HPGD (0.39) HTTMEN1KMT2AALDH1A1
SCHEMBL1801988 0.78 CHRNA4 (0.36) NAMPTCTSK
SCHEMBL1800700 0.78 CYP3A4 (0.37) NAMPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1803209 0.78 TSHR (0.38) TSHREPHX2MEN1KMT2AALDH1A1
SCHEMBL1804472 0.77 PROKR1 (0.35) MEN1KMT2A
SCHEMBL1798561 0.77 CCR5 (0.35) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL1800465 0.77 HTT (0.42) KDM4ELMNATSHRHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
US-20070015784-A1 Subsitituted 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 NAA50 344/4885NAMPT 2046/4885KDM4E 3667/4885

“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.