SCHEMBL17439137

SCHEMBL17439137

CCCCN1CCC2(CCC(c3ccccc3)(N3CCC3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.57
OPRL1 P41146 3/20 0.57
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
SIGMAR1 Q99720 5/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP2B6 P20813 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
PRCP P42785 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
OPRD1 P41143 1/20 0.44
EBP Q15125 1/20 0.43

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
SCHEMBL17444425 0.81 CYP2D6 (0.53) OPRM1OPRL1SIGMAR1GRIN1GRIN2A
SCHEMBL17439022 0.80 OPRM1 (0.67) OPRM1OPRL1DRD2DRD3
SCHEMBL19159867 0.76 OPRM1 (0.57) OPRM1OPRL1DRD2DRD3SIGMAR1
SCHEMBL17438765 0.75 OPRM1 (0.68) OPRM1OPRL1SIGMAR1GRIN1GRIN2A
SCHEMBL30364176 0.74 SIGMAR1 (0.77) OPRM1OPRL1SIGMAR1GRIN1GRIN2A
SCHEMBL17438671 0.72 OPRM1 (1.00) OPRM1OPRL1DRD2DRD3
SCHEMBL19159433 0.71 OPRM1 (0.52) OPRM1OPRL1DRD2DRD3SIGMAR1
SCHEMBL19634059 0.71 GRIN1 (0.84) OPRM1OPRL1SIGMAR1GRIN1GRIN2A
SCHEMBL12851995 0.70 OPRM1 (0.55) OPRM1OPRL1SIGMAR1GRIN1GRIN2A
SCHEMBL11740559 0.70 ADRA1A (0.57) OPRM1SIGMAR1GRIN1GRIN2AGRIN2B

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-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 US claimed
EP-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 EP claimed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP claimed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO claimed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885DRD2 478/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885DRD2 478/4885

“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.