SCHEMBL699217

SCHEMBL699217

Cc1ccc2[nH]c3c(c2c1)CC(C)OC31CCC(C(c2cccc(F)c2)N(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.56
OGFRL1 Q5TC84 11/20 0.56
OPRL1 P41146 3/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
SIRT1 Q96EB6 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
RB1 P06400 1/20 0.31
KIF11 P52732 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL700959 0.94 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL699418 0.91 OPRM1 (0.57) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2326582 0.90 OPRM1 (0.66) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL700139 0.88 OPRM1 (0.67) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL699857 0.86 OPRM1 (0.58) OPRM1OGFRL1SIRT1RB1HTR2A
SCHEMBL698663 0.86 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL699747 0.83 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL698642 0.81 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL699659 0.81 OPRM1 (0.54) OPRM1OGFRL1SIRT1ALDH1A1MAPT
SCHEMBL700102 0.79 OPRM1 (0.58) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP claimed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 US claimed
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP claimed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 WO claimed
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP disclosed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 US disclosed
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP disclosed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 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-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY OPRK1, OPRL1, OPRD1 OPRM1 9/4885OGFRL1 163/4885OPRL1 2/4885

“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.