SCHEMBL1328256

SCHEMBL1328256

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.47
SLC6A5 Q9Y345 2/20 0.47
CHRM4 P08173 4/20 0.46
OPRL1 P41146 3/20 0.42
NAMPT P43490 1/20 0.41
ACKR3 P25106 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
OPRM1 P35372 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TPSAB1 Q15661 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
SCHEMBL1328396 0.93 OPRL1 (0.45) SLC6A9SLC6A5CHRM4OPRL1TMEM97
SCHEMBL1327818 0.92 OPRL1 (0.42) SLC6A9SLC6A5CHRM4OPRL1OPRM1
SCHEMBL1327546 0.91 CHRM4 (0.53) SLC6A9CHRM4ACKR3TMEM97SIGMAR1
SCHEMBL1326898 0.89 KCNK3 (0.43) OPRL1OPRM1ITGB3ITGA2BALDH1A1
SCHEMBL1328495 0.89 GRM5 (0.45) OPRL1TMEM97SIGMAR1OPRM1ITGB3
SCHEMBL1328124 0.88 OPRL1 (0.42) CHRM4OPRL1OPRM1ALDH1A1
SCHEMBL27751828 0.87 SCD (0.45) CHRM4OPRL1OPRM1
SCHEMBL1326896 0.86 OPRL1 (0.41) CHRM4OPRL1OPRM1
SCHEMBL1326741 0.85 OPRL1 (0.41) CHRM4OPRL1OPRM1SMN1; SMN2
SCHEMBL2306307 0.85 NPC1 (0.44) SMN1; SMN2

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-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R SLC6A9 3158/4885SLC6A5 3292/4885CHRM4 27/4885

“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.