SCHEMBL1801131

SCHEMBL1801131

CCCC(CCC)C(=O)N1CCC2(CC1)NCC(=O)N2Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 2/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
SLC1A2 P43004 1/20 0.35
METAP2 P50579 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
SCHEMBL1800853 0.86 ALDH1A1 (0.49) RIPK1ALDH1A1KDM4EPOLBMAPT
SCHEMBL1802356 0.86 P2RX7 (0.36) ALDH1A1RAB9ALMNA
SCHEMBL1802473 0.80 RIPK1 (0.50) RIPK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1800533 0.79 ALDH1A1 (0.47) RIPK1ALDH1A1KDM4EPOLBMAPT
SCHEMBL1803894 0.79 RIPK1 (0.51) RIPK1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5156459 0.79 ALDH1A1 (0.48) RIPK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1802840 0.78 ALDH1A1 (0.47) RIPK1ALDH1A1KDM4EPOLBMAPT
SCHEMBL4001000 0.78 L3MBTL1 (0.43) RIPK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1802733 0.78 RIPK1 (0.54) RIPK1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL1802555 0.78 USP2 (0.52) RIPK1ALDH1A1POLBMAPTKMT2A

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 RIPK1 3818/4885ALDH1A1 2780/4885KDM4E 3667/4885

“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.