SCHEMBL20864337

SCHEMBL20864337

CC(=O)N1CCC(C(C)(C)Cc2cccc(C(=O)N3CCC(C(C)C)CC3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
MGLL Q99685 3/20 0.41
ITK Q08881 3/20 0.40
PARP1 P09874 1/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 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
SCHEMBL19119582 0.83 IDO1 (0.44) IDO1TDO2MGLLPARP1KMT2A
SCHEMBL14701440 0.74 RBP4 (0.52) MGLLKMT2AMEN1GAA
SCHEMBL14003455 0.73 HPGD (0.64) MGLLKMT2AMEN1GAAHTT
SCHEMBL13503785 0.72 MGLL (0.62) MGLLKMT2AMEN1ALDH1A1
SCHEMBL13504097 0.72 SMN1; SMN2 (0.62) MGLLSMN1; SMN2GAAHTTALDH1A1
SCHEMBL13503927 0.72 LMNA (0.65) MGLLKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL2603247 0.71 ACHE (0.68) MGLLKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL13503779 0.70 L3MBTL1 (0.64) MGLLKMT2AMEN1GAAHTT
SCHEMBL13503777 0.69 MGLL (0.50) MGLLKMT2ASMN1; SMN2MEN1TP53
SCHEMBL20805385 0.69 HRH3 (0.52) KMT2ASMN1; SMN2MEN1TP53ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190100515-A1 8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2019-04-04 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-20190100515-A1 8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, OPRL1 IDO1 1991/4885TDO2 2535/4885MGLL 4366/4885

“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.