SCHEMBL20647601

SCHEMBL20647601

CN(C(=O)OC(C)(C)C)[C@]1(c2ccccc2)C[C@@]2(C1)NC(=O)NC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.40
OPRM1 P35372 8/20 0.37
OPRL1 P41146 6/20 0.37
DDB1 Q16531 1/20 0.36
CACNA1F O60840 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
SCN1A P35498 1/20 0.35
SCN4A P35499 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CACNA1D Q01668 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 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
SCHEMBL20647623 1.00 CRBN (0.40) CRBNOPRM1OPRL1DDB1CACNA1F
SCHEMBL20640247 1.00 CRBN (0.40) CRBNOPRM1OPRL1DDB1CACNA1F
SCHEMBL22556046 0.84 OPRM1 (0.43) CRBNOPRM1OPRL1DDB1CACNA1F
SCHEMBL20904051 0.78 OPRM1 (0.59) OPRM1OPRL1
SCHEMBL20640233 0.77 OPRM1 (0.44) OPRM1OPRL1BRD4
SCHEMBL22570690 0.74 HDAC6 (0.49) OPRM1OPRL1
SCHEMBL20647628 0.74 HDAC6 (0.49) OPRM1OPRL1
SCHEMBL20640208 0.74 HDAC6 (0.49) OPRM1OPRL1
SCHEMBL20647558 0.74 OPRM1 (0.43) OPRM1OPRL1
SCHEMBL19094063 0.70 OPRM1 (0.59) CRBNOPRM1OPRL1

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
EP-3652157-B1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUENENTHAL GMBH (DE) 2021-05-05 EP disclosed
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUNENTHAL GMBH (DE) 2020-10-22 US disclosed
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives Grünenthal GmbH (DE) 2020-08-11 US disclosed
WO-2019012037-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 WO disclosed
US-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 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 (3 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-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 CRBN 1333/4885OPRM1 5/4885OPRL1 3/4885
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives OPRK1, OPRD1, OPRL1 CRBN 1333/4885OPRM1 5/4885OPRL1 3/4885
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 CRBN 1333/4885OPRM1 5/4885OPRL1 3/4885

“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.