SCHEMBL1800466

SCHEMBL1800466

Cc1ccc(C(=O)N2CCC3(CC2)NCC(=O)N3Cc2cccc(C#N)c2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
HTT P42858 4/20 0.49
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
BLM P54132 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.42
LMNA P02545 2/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
CYP3A4 P08684 3/20 0.38
USP2 O75604 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 2/20 0.38
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL1800737 0.83 CYP3A4 (0.41) ALDH1A1SMN1; SMN2CYP3A4USP2CYP2D6
SCHEMBL1800539 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP3A4
SCHEMBL1802856 0.79 USP2 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL1806773 0.76 AVPR1A (0.52) ALDH1A1GAAMEN1KMT2A
SCHEMBL1798378 0.76 FAAH (0.40) MAPK1
SCHEMBL1803002 0.75 CYP2C19 (0.44) ALDH1A1SMN1; SMN2L3MBTL1CYP3A4USP2
SCHEMBL3916416 0.72 KEAP1 (0.43) ALDH1A1SMN1; SMN2GAAL3MBTL1MEN1
SCHEMBL4179233 0.71 GAA (0.56) ALDH1A1SMN1; SMN2HTTGAAL3MBTL1
SCHEMBL1799109 0.71 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HTTGAAL3MBTL1
SCHEMBL3917731 0.70 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4

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 10 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
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-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
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 ALDH1A1 2780/4885SMN1; SMN2 2139/4885HTT 914/4885

“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.