SCHEMBL3560930

SCHEMBL3560930

CN(C)C1(C2CCCCC2)CCC2(CC1)OCCc1c2[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.63
OGFRL1 Q5TC84 12/20 0.63
OPRL1 P41146 8/20 0.63
OPRD1 P41143 3/20 0.63
OPRK1 P41145 3/20 0.63
LMNA P02545 1/20 0.40
BRD3 Q15059 1/20 0.38
LPAR1 Q92633 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL3562995 0.99 OPRM1 (0.64) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3572881 0.85 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3570145 0.79 LMNA (0.65) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3566512 0.78 OPRM1 (0.64) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL380074 0.77 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3566314 0.77 OPRM1 (0.68) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL12918431 0.77 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10051541 0.77 OPRM1 (0.67) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10051540 0.77 OPRM1 (0.67) OPRM1OGFRL1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL1304169 0.76 OPRM1 (1.00) 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-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.