SCHEMBL3561558

SCHEMBL3561558

CN(C)C1(C2CCCCC2)CCC2(CC1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3574839 0.98 OPRM1 (0.38) OPRM1OPRL1ALDH1A1LMNASLC6A4
SCHEMBL18562128 0.78 OPRM1 (0.40) OPRM1OPRL1LMNAKMT2ASLC6A4
SCHEMBL613729 0.71 OPRM1 (0.36) OPRM1OPRL1ALDH1A1LMNAKMT2A
SCHEMBL6509519 0.71 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL6132469 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3568534 0.69 OPRM1 (0.38) OPRM1OPRL1ALDH1A1LMNAKMT2A
SCHEMBL6132321 0.68 KMT2A (0.34) OPRM1OPRL1ALDH1A1LMNAKMT2A
SCHEMBL6132229 0.68
SCHEMBL3572742 0.68 OPRM1 (0.51) OPRM1OPRL1SLC6A4SLC6A3
SCHEMBL3578256 0.67 OPRM1 (0.39) OPRM1OPRL1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 EP disclosed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 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-20100048554-A1 Spirocyclic Cyclohexane Compounds OPRL1, OPRD1, OPRK1 OPRM1 4/4885OPRL1 1/4885ALDH1A1 588/4885

“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.