SCHEMBL1801397

SCHEMBL1801397

CSCCC1NC2(CCN(C(=O)C3CCCCC3)CC2)N(Cc2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCR5 P51681 1/20 0.35
MAPT P10636 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL1800360 0.88 ALDH1A1 (0.38) ACHEALDH1A1KMT2AMEN1MAPK1
SCHEMBL1802615 0.87 ALDH1A1 (0.41) ACHEALDH1A1KMT2AMEN1KDM4E
SCHEMBL2993155 0.85 ACHE (0.35) ACHEALDH1A1KMT2AMEN1HTT
SCHEMBL1800359 0.84 SIGMAR1 (0.41) ACHEALDH1A1KDM4ELMNATDP1
SCHEMBL1802738 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL1798457 0.82 ALDH1A1 (0.41) ACHEALDH1A1KMT2AMEN1MAPK1
SCHEMBL1802774 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL1798454 0.82 CHRM1 (0.33) ACHEALDH1A1HTTKDM4ELMNA
SCHEMBL1798991 0.82 ALDH1A1 (0.41) ACHEALDH1A1KMT2AMEN1HTT
SCHEMBL1803218 0.82 ALDH1A1 (0.55) ACHEALDH1A1KMT2AMEN1KDM4E

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 8 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
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP 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
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 ACHE 3150/4885ALDH1A1 2780/4885KMT2A 4267/4885

“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.