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SCHEMBL1798457

SCHEMBL1798457

CSCCC1NC2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)N(Cc2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ NPC1L1 Q9UHC9 2/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL1798991 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1802774 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1803218 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1802615 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL1802453 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1803775 0.84 EPHX2 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1802738 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1800941 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1800360 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1800359 0.82 SIGMAR1 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA

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 ALDH1A1 2780/4885SMN1; SMN2 2139/4885MEN1 1474/4885

“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.