SCHEMBL17438809

SCHEMBL17438809

CCCC(=O)N1CCC2(CCC(c3cccs3)(N3CCC3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.53
OPRL1 P41146 7/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRCP P42785 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SLC6A9 P48067 1/20 0.41
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
GRM5 P41594 1/20 0.39
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
HSD11B1 P28845 2/20 0.36
EPHX2 P34913 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
SCHEMBL17438597 0.83 OPRM1 (0.69) OPRM1OPRL1ITGB3ITGA2BGRM5
SCHEMBL17438765 0.82 OPRM1 (0.68) OPRM1OPRL1PRCPSIGMAR1ITGB3
SCHEMBL17444349 0.81 MEN1 (0.49) MEN1KMT2APRCPSIGMAR1GRM5
SCHEMBL17443974 0.77 MEN1 (0.48) MEN1KMT2APRCPSIGMAR1SLC6A9
SCHEMBL17444047 0.77 MEN1 (0.48) MEN1KMT2APRCPSIGMAR1SLC6A9
SCHEMBL17443973 0.77 MEN1 (0.48) MEN1KMT2APRCPSIGMAR1SLC6A9
SCHEMBL17438592 0.74 OPRM1 (0.58) OPRM1OPRL1MEN1KMT2AITGB3
SCHEMBL17438890 0.72 OPRM1 (0.54) OPRM1OPRL1MEN1KMT2A
SCHEMBL17438883 0.72 OPRM1 (0.56) OPRM1OPRL1ITGB3ITGA2B
SCHEMBL17438784 0.71 OPRM1 (0.61) OPRM1OPRL1GRM5

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 1/4885MEN1 4038/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885MEN1 4038/4885

“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.