SCHEMBL6018950

SCHEMBL6018950

C=CCNCC1CCC(CCN(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.59
TEAD1 P28347 1/20 0.38
LIPE Q05469 1/20 0.38
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
NAAA Q02083 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6018956 1.00 LSS (0.59) LSSTEAD1LIPECYP11B1CYP11B2
SCHEMBL6018356 0.88 LSS (0.53) LSSLIPECYP11B1CYP11B2NAAA
SCHEMBL6018359 0.88 LSS (0.53) LSSLIPECYP11B1CYP11B2NAAA
SCHEMBL6018910 0.86 LSS (0.50) LSSLIPENAAALIPCLIPG
SCHEMBL6018908 0.86 LSS (0.50) LSSLIPENAAALIPCLIPG
SCHEMBL6018954 0.84 LSS (0.68) LSSTEAD1LIPECYP11B1CYP11B2
SCHEMBL6018948 0.84 LSS (0.68) LSSTEAD1LIPECYP11B1CYP11B2
SCHEMBL6019040 0.84 LSS (0.79) LSSLIPE
SCHEMBL6019044 0.84 LSS (0.79) LSSLIPE
SCHEMBL6018745 0.82 LSS (0.48) LSSLIPECYP11B1CYP11B2NAAA

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 1/4885TEAD1 2526/4885LIPE 347/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885TEAD1 1716/4885LIPE 310/4885

“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.