SCHEMBL1461928

SCHEMBL1461928

CCC(=O)N(Cc1ccccc1)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.58
TMEM97 Q5BJF2 2/20 0.53
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 1/20 0.46
LMNA P02545 1/20 0.44
AGER Q15109 2/20 0.42
MTNR1A P48039 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
SCHEMBL1460744 0.88 DPP4 (0.48) OPRM1TMEM97SLC6A2SLC6A4SLC6A3
SCHEMBL1460997 0.86 OPRM1 (0.55) OPRM1KCNH2AGERMTNR1A
SCHEMBL1460765 0.85 AGER (0.43) OPRM1TMEM97AGERMTNR1A
SCHEMBL1461945 0.80 GRIN2B (0.48) SLC6A2SLC6A4
SCHEMBL1461003 0.78 SLC6A2 (0.41) OPRM1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1460723 0.78 DRD2 (0.47) SLC6A2SLC6A4
SCHEMBL19002823 0.74 OPRM1 (0.66) OPRM1TMEM97SLC6A2SLC6A4SLC6A3
SCHEMBL5355490 0.73 SLC6A2 (0.44) OPRM1SLC6A2SLC6A4
SCHEMBL1461010 0.73 ESR2 (0.51)
SCHEMBL14409767 0.73 LMNA (0.57) OPRM1TMEM97LMNAAGERMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4644714-B2 2011-03-02 JP claimed
JP-2008524280-A 2008-07-10 JP claimed
EP-1831158-A1 NOVEL CYCLOHEXANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP claimed
US-7253282-B2 Hexafluoroisopropanol substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US claimed
WO-2006066779-A1 NOVEL CYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO claimed
US-20060135601-A1 Novel hexafluoroisopropanol substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
EP-1831158-A1 NOVEL CYCLOHEXANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-7253282-B2 Hexafluoroisopropanol substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed
WO-2006066779-A1 NOVEL CYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
US-20060135601-A1 Novel hexafluoroisopropanol substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 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-20060135601-A1 Novel hexafluoroisopropanol substituted cyclohexane derivatives NR1H3, NR1H2, NR1I2 OPRM1 216/4885TMEM97 131/4885SLC6A2 3185/4885

“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.