SCHEMBL1801632

SCHEMBL1801632

CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)[C@H](Cc1ccccc1)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
STS P08842 1/20 0.44
CCR5 P51681 2/20 0.43
GPR119 Q8TDV5 4/20 0.43
TACR1 P25103 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
JAK2 O60674 1/20 0.40

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
SCHEMBL3920513 1.00 OPRD1 (0.45) OPRD1OPRK1STSCCR5GPR119
SCHEMBL4037006 0.85 KMT2A (0.35) STSSMN1; SMN2LMNA
SCHEMBL2932612 0.85 KMT2A (0.35) STSSMN1; SMN2LMNA
SCHEMBL2936432 0.84 GAA (0.51) OPRD1OPRK1GAASMN1; SMN2LMNA
SCHEMBL1801535 0.84 GAA (0.51) OPRD1OPRK1GAASMN1; SMN2LMNA
SCHEMBL1800257 0.84 KMT2A (0.41) TACR1GAASMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL1801502 0.83 GAA (0.50) OPRD1OPRK1GAASMN1; SMN2LMNA
SCHEMBL12656247 0.80 DDB1 (0.38) OPRD1OPRK1CCR5GPR119THRB
SCHEMBL2938331 0.80 CCR5 (0.40) CCR5GAASMN1; SMN2LMNATSHR
SCHEMBL2940002 0.80 CCR5 (0.40) CCR5GAASMN1; SMN2LMNATSHR

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 2 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 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 310/4885STS 581/4885

“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.