SCHEMBL1801303

SCHEMBL1801303

CSCCC1NC2(CCN(C(=O)c3cccnc3Oc3ccccc3)CC2)N(Cc2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
CCR8 P51685 2/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL1802810 0.89 POLB (0.38) ROCK2POLBALDH1A1KDM4EMEN1
SCHEMBL1800927 0.88 ROCK2 (0.40) ROCK2POLBALDH1A1MEN1KMT2A
SCHEMBL1801238 0.88 POLB (0.41) ROCK2POLBALDH1A1MEN1KMT2A
SCHEMBL1800564 0.85 POLB (0.42) ROCK2POLBALDH1A1MEN1KMT2A
SCHEMBL1802453 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1803218 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1801453 0.80 MEN1 (0.37) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1802615 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL1802738 0.79 ALDH1A1 (0.43) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL1800359 0.79 SIGMAR1 (0.41) POLBALDH1A1KDM4ESMN1; SMN2NPC1

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
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
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO 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
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO 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 ROCK2 4597/4885POLB 2915/4885ALDH1A1 2780/4885

“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.