SCHEMBL6018750

SCHEMBL6018750

CN(CC[C@H]1CC[C@H](CNC(C)(C)CO)CC1)C(=O)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.48
LIPE Q05469 1/20 0.37
NAAA Q02083 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CHRM4 P08173 1/20 0.34
ADAMTS4 O75173 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL6018745 1.00 LSS (0.48) LSSLIPENAAALIPCLIPG
SCHEMBL6018359 0.87 LSS (0.53) LSSLIPENAAALIPCLIPG
SCHEMBL6018356 0.87 LSS (0.53) LSSLIPENAAALIPCLIPG
SCHEMBL6018910 0.85 LSS (0.50) LSSLIPENAAALIPCLIPG
SCHEMBL6018908 0.85 LSS (0.50) LSSLIPENAAALIPCLIPG
SCHEMBL6018956 0.82 LSS (0.59) LSSLIPENAAALIPCLIPG
SCHEMBL6018950 0.82 LSS (0.59) LSSLIPENAAALIPCLIPG
SCHEMBL6019983 0.82 LSS (0.54) LSSLIPECHRM4SLC6A5CYP11B1
SCHEMBL6019988 0.82 LSS (0.54) LSSLIPECHRM4SLC6A5CYP11B1
SCHEMBL6018967 0.81 LSS (0.58) LSSLIPENAAAADAMTS4ADAMTS5

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 4 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
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 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 (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 347/4885NAAA 1437/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885LIPE 310/4885NAAA 1998/4885

“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.