SCHEMBL1801757

SCHEMBL1801757

O=C(c1cccc(SC(F)F)c1)N1CCC2(CC1)NCC(=O)N2Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.47
ALDH1A1 P00352 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 9/20 0.41
MAPK1 P28482 3/20 0.41
TSHR P16473 3/20 0.40
CYP3A4 P08684 9/20 0.40
USP2 O75604 7/20 0.40
CYP1A2 P05177 5/20 0.40
HIF1A Q16665 3/20 0.40
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1799247 0.83 ALDH1A1 (0.53) RIPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1801790 0.81 RIPK1 (0.48) RIPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1802733 0.81 RIPK1 (0.54) RIPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1801574 0.80 RIPK1 (0.47) RIPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1801195 0.80 RIPK1 (0.47) RIPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1803359 0.79 USP2 (0.52) RIPK1ALDH1A1TSHRCYP3A4USP2
SCHEMBL1802555 0.78 USP2 (0.52) RIPK1ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL1799572 0.78 GRIA3 (0.46) RIPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1804135 0.78 RIPK1 (0.46) RIPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5156459 0.78 ALDH1A1 (0.48) RIPK1ALDH1A1MEN1KMT2AKDM4E

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 12 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
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 2780/4885MEN1 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.