SCHEMBL3919286

SCHEMBL3919286

CC(C)(C)OC(=O)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
STS P08842 1/20 0.45
GPR119 Q8TDV5 4/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TACR1 P25103 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR5 P51681 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
ACHE P22303 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 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
SCHEMBL1801457 1.00 OPRD1 (0.47) OPRD1OPRK1STSGPR119HDAC1
SCHEMBL3919263 0.88 OPRD1 (0.44) OPRD1OPRK1STSGPR119HDAC1
SCHEMBL1800888 0.88 OPRD1 (0.44) OPRD1OPRK1STSGPR119HDAC1
SCHEMBL2940834 0.86 CXCR3 (0.38) OPRD1OPRK1STSGPR119CCR5
SCHEMBL4039209 0.86 CXCR3 (0.38) OPRD1OPRK1STSGPR119CCR5
SCHEMBL1797763 0.85 CYP2D6 (0.51) OPRD1OPRK1GAACCR5TSHR
SCHEMBL3926088 0.85 CXCR3 (0.41) HDAC1HDAC8HDAC6GAACCR5
SCHEMBL1801100 0.85 CXCR3 (0.39) HDAC1HDAC8HDAC6TACR1GAA
Hydrochloric Acid SCHEMBL1800654 0.84 CYP2D6 (0.50) OPRD1OPRK1GAACCR5TSHR
SCHEMBL3918198 0.82 GAA (0.41) HDAC1HDAC8HDAC6GAACCR5

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-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
US-20070015783-A1 Substituted 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 OPRD1 403/4885OPRK1 428/4885STS 2435/4885

“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.