SCHEMBL1803371

SCHEMBL1803371

COC(=O)c1ccc(CN2C(=O)CNC23CCN(C(=O)c2snnc2C)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
EDNRB P24530 1/20 0.36

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
SCHEMBL1801944 0.88 CYP2D6 (0.40) ALDH1A1KDM4ELMNATSHRCYP2D6
SCHEMBL1803273 0.79 MEN1 (0.47) OPRD1OPRK1ALDH1A1KDM4EMEN1
SCHEMBL1801939 0.79 OPRD1 (0.47) OPRD1OPRK1LMNARAB9ANPC1
SCHEMBL1799853 0.78 OPRD1 (0.46) OPRD1OPRK1ALDH1A1MEN1KMT2A
SCHEMBL1801345 0.77 MEN1 (0.45) OPRD1OPRK1ALDH1A1KDM4EMEN1
SCHEMBL1803525 0.77 NPC1 (0.44) OPRD1OPRK1ALDH1A1KDM4EMEN1
SCHEMBL1797571 0.77 LMNA (0.44) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL3920891 0.76 LMNA (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1798663 0.76 LMNA (0.45) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1802034 0.76 KMT2A (0.48) OPRD1OPRK1ALDH1A1KDM4EMEN1

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 5 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
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 OPRD1 476/4885OPRK1 310/4885ALDH1A1 2780/4885

“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.