SCHEMBL1702736

SCHEMBL1702736

Fc1ccc2[nH]c3c(c2c1)CCOC31CCC(c2ccccc2)(N2CCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.68
OGFRL1 Q5TC84 13/20 0.68
OPRL1 P41146 8/20 0.68
OPRD1 P41143 3/20 0.68
OPRK1 P41145 3/20 0.68
ACHE P22303 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PRCP P42785 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL1702455 0.98 OPRM1 (0.68) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL682596 0.88 OPRM1 (0.64) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL1702808 0.85 OPRM1 (0.68) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL566256 0.81 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL10035739 0.81 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL29353179 0.81 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL154336 0.81 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL381022 0.80 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL566559 0.80 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL15007659 0.80 OPRM1 (0.98) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048553-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US claimed
EP-2121691-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-04-18 EP disclosed
US-7960404-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2011-06-14 US disclosed
US-20100048553-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-20100048553-A1 Spirocyclic Cyclohexane Compounds PKD2, PKD1, RYR1 OPRM1 65/4885OGFRL1 672/4885OPRL1 17/4885

“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.