SCHEMBL4792117

SCHEMBL4792117

CN(C)CC1CC2(CCC1(O)c1ccc(C(F)(F)F)cc1)OCCc1c2sc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 7/20 0.34
OGFRL1 Q5TC84 3/20 0.34
OPRK1 P41145 9/20 0.32
OPRD1 P41143 7/20 0.32
OPRL1 P41146 3/20 0.32
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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 SCHEMBL2964283 0.91 LMNA (0.40) LMNAGAAALDH1A1SMN1; SMN2OPRM1
SCHEMBL2976303 0.90 SMN1; SMN2 (0.44) LMNAGAAALDH1A1SMN1; SMN2OPRM1
SCHEMBL13202829 0.87 ALDH1A1 (0.36) LMNAGAAALDH1A1SMN1; SMN2OPRM1
SCHEMBL2976668 0.85 OPRM1 (0.44) ALDH1A1SMN1; SMN2OPRM1OGFRL1OPRK1
Citric Acid SCHEMBL2973300 0.83 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2OPRM1OGFRL1
SCHEMBL2969261 0.82 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2OPRM1OGFRL1OPRK1
SCHEMBL2965781 0.82 LMNA (0.46) LMNAGAAALDH1A1SMN1; SMN2OPRM1
Citric Acid SCHEMBL2976836 0.80 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2OPRK1OPRD1
Citric Acid SCHEMBL2970451 0.78 OPRM1 (0.38) ALDH1A1SMN1; SMN2OPRM1OGFRL1OPRK1
Citric Acid SCHEMBL2966710 0.76 KDM4E (0.31) LMNA

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 5 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-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-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.