SCHEMBL2965781

SCHEMBL2965781

CN(C)CC1CC2(CCC1(O)c1ccc(C(F)(F)F)cc1)OCCc1c2oc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 7/20 0.33
OGFRL1 Q5TC84 3/20 0.33
OPRK1 P41145 10/20 0.33
OPRD1 P41143 8/20 0.33
OPRL1 P41146 4/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
VKORC1 Q9BQB6 1/20 0.32
SLC6A2 P23975 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SIGMAR1 Q99720 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
Citric Acid SCHEMBL2967035 0.91 LMNA (0.39) LMNAGAAALDH1A1SMN1; SMN2OPRM1
SCHEMBL2970393 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2OPRM1OGFRL1OPRK1
SCHEMBL13202826 0.87 ALDH1A1 (0.35) LMNAGAAALDH1A1SMN1; SMN2OPRM1
SCHEMBL2967057 0.84 OPRM1 (0.45) ALDH1A1SMN1; SMN2OPRM1OGFRL1OPRK1
Citric Acid SCHEMBL2969460 0.83 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2OPRM1OGFRL1
SCHEMBL2960677 0.82 OPRM1 (0.32) ALDH1A1SMN1; SMN2OPRM1OGFRL1OPRK1
SCHEMBL4792117 0.82 LMNA (0.47) LMNAGAAALDH1A1SMN1; SMN2OPRM1
SCHEMBL4791673 0.80 LMNA (0.42) LMNAGAAOPRM1OPRK1OPRD1
Citric Acid SCHEMBL2966707 0.80 OPRK1 (0.31) ALDH1A1SMN1; SMN2OPRK1OPRD1
Citric Acid SCHEMBL2974669 0.78 OPRM1 (0.38) OPRM1OGFRL1OPRK1OPRD1OPRL1

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 LMNA 355/4885GAA 396/4885ALDH1A1 952/4885

“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.