SCHEMBL2967057

SCHEMBL2967057

CN(C)CC1CC2(CCC1(O)c1cccc(F)c1)OCCc1c2oc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.45
OGFRL1 Q5TC84 4/20 0.45
OPRD1 P41143 8/20 0.40
OPRK1 P41145 8/20 0.40
OPRL1 P41146 1/20 0.40
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC22A1 O15245 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
Citric Acid SCHEMBL2974669 0.90 OPRM1 (0.38) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL2970393 0.90 ALDH1A1 (0.43) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL2965781 0.84 LMNA (0.46) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL13202826 0.83 ALDH1A1 (0.35) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL2960677 0.82 OPRM1 (0.32) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL2976866 0.82 OPRM1 (0.66) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL2976668 0.82 OPRM1 (0.44) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL4791792 0.81 OPRD1 (0.38) OPRM1OGFRL1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL2968879 0.81 OPRM1 (0.65) OPRM1OGFRL1OPRD1OPRK1OPRL1
Citric Acid SCHEMBL2969460 0.81 ALDH1A1 (0.36) OPRM1OGFRL1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1860/4885OPRD1 295/4885

“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.