SCHEMBL2827102

SCHEMBL2827102

CN(C)C1(Cc2ccccc2)CCC2(CC1)SCCc1c2sc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.43
OPRL1 P41146 4/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 3/20 0.42
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 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
SCHEMBL1304619 0.80 OPRM1 (0.60) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL12618031 0.75 OPRM1 (0.51) OPRM1OPRL1OPRK1OGFRL1
Citric Acid SCHEMBL1305034 0.72 OPRM1 (0.48) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL14601364 0.71 OPRM1 (0.76) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL3216799 0.64 OPRM1 (0.47) OPRM1OPRL1OPRK1OGFRL1DRD2
SCHEMBL2464748 0.63 OPRM1 (0.64) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL208815 0.63 OPRM1 (0.58) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL5569970 0.62 OPRM1 (0.62) OPRM1OPRL1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL11729597 0.62 OPRL1 (0.62) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL3214484 0.62 OPRM1 (0.47) OPRM1OPRL1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116544-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-11-11 EP claimed
EP-1560835-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-09-02 EP claimed
EP-2062898-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-05-27 EP claimed
US-20060004034-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2006-01-05 US claimed
EP-2116544-B1 Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2016-05-18 EP disclosed
EP-2233487-B1 Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2016-05-18 EP disclosed
EP-2062898-B1 Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2013-10-02 EP disclosed
EP-2233487-A1 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2010-09-29 EP disclosed
EP-2116544-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-11-11 EP disclosed
EP-1560835-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-09-02 EP disclosed
US-7547707-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2009-06-16 US disclosed
EP-2062898-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-05-27 EP disclosed
US-20060004034-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2006-01-05 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-20060004034-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, HSD17B7 OPRM1 1225/4885OPRL1 470/4885OPRK1 237/4885

“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.