SCHEMBL3575847

SCHEMBL3575847

COCCCCC1(N(C)C)CCC2(CC1)OCCc1c2[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.59
OGFRL1 Q5TC84 14/20 0.59
OPRL1 P41146 9/20 0.59
OPRD1 P41143 4/20 0.59
OPRK1 P41145 3/20 0.59
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 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
SCHEMBL3560574 0.97 OPRM1 (0.60) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3560603 0.88 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3570476 0.87 OPRM1 (0.59) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3562599 0.83 OPRM1 (0.60) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3566314 0.83 OPRM1 (0.68) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL13805887 0.82 OPRM1 (0.42) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3572216 0.81 OPRM1 (0.66) OPRM1OGFRL1OPRL1
Citric Acid SCHEMBL4436232 0.79 OPRM1 (0.52) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3563012 0.78 OPRM1 (0.67) OPRM1OGFRL1OPRL1
SCHEMBL3560573 0.76 OPRM1 (0.62) OPRM1OGFRL1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 EP claimed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 US claimed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US claimed
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 EP disclosed
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-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 US 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
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
WO-2008101659-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 WO 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 4/4885OGFRL1 5/4885OPRL1 1/4885

“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.