SCHEMBL1799403

SCHEMBL1799403

Cc1cc(C)cc(CN2C(=O)C(CC(C)C)NC23CCN(C(=O)CCC2CCCC2)CC3)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 4/20 0.38
MAPK1 P28482 1/20 0.36
USP19 O94966 2/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.35
MC4R P32245 1/20 0.35
ATM Q13315 1/20 0.35
TP53 P04637 1/20 0.34
CCR5 P51681 3/20 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
SCHEMBL1801253 0.84 CCR5 (0.36) ATMCCR5
SCHEMBL1802820 0.82 USP19 (0.44) ALDH1A1SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL1801126 0.81 CCR5 (0.37) KMT2ALMNACCR5
SCHEMBL1799089 0.78 CCR5 (0.40) ALDH1A1SMN1; SMN2TSHRTP53CCR5
SCHEMBL1799234 0.77 GPR183 (0.44) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL2934540 0.77 GPR183 (0.44) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL1802066 0.76 CYP2C9 (0.41) HSD11B1CCR5
SCHEMBL1799397 0.75 LMNA (0.46) ALDH1A1SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL1802342 0.75 KDM4E (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1ATM
SCHEMBL1800786 0.75 GPR183 (0.39) ALDH1A1KMT2AMEN1TSHRCCR5

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
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 claimed
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 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

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 2139/4885KMT2A 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.