SCHEMBL1801636

SCHEMBL1801636

O=C1NC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)NC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTR1A P08908 3/20 0.42
CYP2D6 P10635 4/20 0.41
MAPK1 P28482 1/20 0.41
HSD11B1 P28845 2/20 0.41
TSHR P16473 1/20 0.41
GRM5 P41594 1/20 0.39
ADRA1A P35348 1/20 0.39
RIPK1 Q13546 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP3A4 P08684 2/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL1810855 0.87 NPC1 (0.52) TSHR
SCHEMBL2936075 0.87 ALDH1A1 (0.47) KMT2AMEN1RIPK1GAAALDH1A1
SCHEMBL1801856 0.87 ALDH1A1 (0.47) KMT2AMEN1RIPK1GAAALDH1A1
SCHEMBL1800555 0.87 ALDH1A1 (0.47) KMT2AMEN1RIPK1GAAALDH1A1
Hydrochloric Acid SCHEMBL1800924 0.86 ALDH1A1 (0.47) KMT2AMEN1RIPK1GAAALDH1A1
SCHEMBL1803261 0.82 USP2 (0.43) KMT2AMEN1CYP2D6TSHRRIPK1
SCHEMBL1803528 0.81 CYP2D6 (0.40) KMT2AMEN1CYP2D6MAPK1TSHR
SCHEMBL2936432 0.80 GAA (0.51) KMT2ACYP2D6MAPK1CYP2C19CYP2C9
SCHEMBL1801535 0.80 GAA (0.51) KMT2ACYP2D6MAPK1CYP2C19CYP2C9
SCHEMBL1800755 0.79 CHRNA4 (0.41) CYP2D6TSHRGRM5CYP2C19CYP2C9

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 KMT2A 4267/4885MEN1 1474/4885HTR1A 130/4885

“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.