SCHEMBL2970907

SCHEMBL2970907

CN(C)CC1CC2(CCC1(O)c1ccccc1)OCCc1c2[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.62
OGFRL1 Q5TC84 14/20 0.62
OPRL1 P41146 9/20 0.62
OPRD1 P41143 3/20 0.62
OPRK1 P41145 3/20 0.62
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2976491 0.91 OPRM1 (0.52) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2976866 0.90 OPRM1 (0.66) OPRM1OGFRL1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2968879 0.90 OPRM1 (0.65) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2437087 0.89 OPRM1 (0.62) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2966422 0.88 OPRM1 (0.52) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL2963864 0.84 OPRM1 (0.45) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2966420 0.81 OPRM1 (0.62) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2977285 0.81 OPRM1 (0.60) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL2966241 0.81 OPRM1 (0.45) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2970393 0.80 ALDH1A1 (0.43) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP claimed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US claimed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 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-20070213351-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, NR3C2 OPRM1 768/4885OGFRL1 1860/4885OPRL1 558/4885

“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.