SCHEMBL6019890

SCHEMBL6019890

CN(C[C@H]1CC[C@H](CCCO)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.59
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 3/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP8 P22894 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
CCR6 P51684 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL6019885 1.00 LSS (0.59) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6020015 0.98 LSS (0.59) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6020013 0.98 LSS (0.59) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6018466 0.93 LSS (0.55) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6018461 0.93 LSS (0.55) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6018340 0.90 LSS (0.67) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6018344 0.90 LSS (0.67) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019909 0.87 LSS (0.51) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019917 0.87 LSS (0.51) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019481 0.87 LSS (0.75) LSSLMNAL3MBTL1ACHE

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 1/4885LMNA 280/4885L3MBTL1 1311/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885LMNA 485/4885L3MBTL1 1655/4885

“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.