SCHEMBL6018948

SCHEMBL6018948

C=CCN(C)CC1CCC(CCN(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.68
LIPE Q05469 1/20 0.39
SCN9A Q15858 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
TEAD1 P28347 1/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6018954 1.00 LSS (0.68) LSSLIPESCN9ACYP11B1CYP11B2
SCHEMBL6019040 0.91 LSS (0.79) LSSLIPE
SCHEMBL6019044 0.91 LSS (0.79) LSSLIPE
SCHEMBL6018721 0.88 LSS (0.57) LSSACHE
SCHEMBL6018718 0.88 LSS (0.57) LSSACHE
SCHEMBL6019133 0.87 LSS (0.82) LSS
SCHEMBL6019137 0.87 LSS (0.82) LSS
SCHEMBL6019983 0.86 LSS (0.54) LSSLIPECYP11B1CYP11B2ACHE
SCHEMBL6019988 0.86 LSS (0.54) LSSLIPECYP11B1CYP11B2ACHE
SCHEMBL6018950 0.84 LSS (0.59) LSSLIPECYP11B1CYP11B2TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 EP disclosed
US-20050272774-A1 Substituted cyclohexane derivatives ACKERMANN JEAN 2005-12-08 US disclosed
US-6953806-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2005-10-11 US disclosed
EP-1456171-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 US disclosed
WO-2003053919-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2003-07-03 WO 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 (2 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-20050272774-A1 Substituted cyclohexane derivatives LSS, CYP51A1, CYP8B1 LSS 1/4885LIPE 347/4885SCN9A 1342/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885LIPE 310/4885SCN9A 1130/4885

“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.