SCHEMBL1801517

SCHEMBL1801517

COC(=O)c1ccc(CN2C(=O)CNC23CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
GLA P06280 1/20 0.38
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
LMNA P02545 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 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
SCHEMBL1803273 0.83 MEN1 (0.47) ALDH1A1KMT2AMEN1OPRD1OPRK1
SCHEMBL1799853 0.77 OPRD1 (0.46) ALDH1A1KMT2AMAPTMEN1OPRD1
SCHEMBL1801939 0.77 OPRD1 (0.47) OPRD1OPRK1LMNANPC1RAB9A
SCHEMBL1803371 0.76 OPRD1 (0.40) ALDH1A1KMT2AMAPTMEN1OPRD1
SCHEMBL1802034 0.75 KMT2A (0.48) ALDH1A1KMT2AMEN1OPRD1OPRK1
SCHEMBL1801345 0.75 MEN1 (0.45) ALDH1A1KMT2AMEN1OPRD1OPRK1
SCHEMBL1803525 0.75 NPC1 (0.44) ALDH1A1KMT2AMEN1OPRD1OPRK1
SCHEMBL1797571 0.75 LMNA (0.44) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL12326127 0.74 NPC1 (0.47) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL3920891 0.74 LMNA (0.44) ALDH1A1KMT2AMAPTMEN1GLA

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 ALDH1A1 2780/4885NPSR1 483/4885KMT2A 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.