SCHEMBL17438874

SCHEMBL17438874

CN(C)C1(C2CCCC2)CCC2(CCN(CC3CCOCC3)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.51
OPRL1 P41146 3/20 0.51
EBP Q15125 10/20 0.35
KCNH2 Q12809 2/20 0.34
CTSS P25774 2/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL17439144 0.91 OPRM1 (0.60) OPRM1OPRL1KCNH2SIGMAR1
SCHEMBL17439140 0.90 OPRM1 (0.55) OPRM1OPRL1SIGMAR1
SCHEMBL17439124 0.89 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL17438827 0.78 OPRM1 (0.57) OPRM1OPRL1SIGMAR1
SCHEMBL17439081 0.76 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL17439143 0.75 OPRM1 (0.51) OPRM1OPRL1EBPSIGMAR1
SCHEMBL17438949 0.75 OPRL1 (0.55) OPRM1OPRL1
SCHEMBL17438830 0.74 OPRM1 (0.50) OPRM1OPRL1
SCHEMBL17439148 0.73 OPRM1 (0.55) OPRM1OPRL1
SCHEMBL27432477 0.73 EBP (0.43) EBPKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885EBP 768/4885

“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.