SCHEMBL6018564

SCHEMBL6018564

CCNC/C=C/C1CCC(CCN(C)C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.54
ACHE P22303 10/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6018569 1.00 LSS (0.54) LSSACHEMEN1KMT2AMAPT
SCHEMBL6018579 1.00 LSS (0.54) LSSACHEMEN1KMT2AMAPT
SCHEMBL6018575 1.00 LSS (0.54) LSSACHEMEN1KMT2AMAPT
SCHEMBL6018775 0.87 LSS (0.58) LSSACHEMEN1KMT2AMAPT
SCHEMBL6019092 0.87 LSS (0.58) LSSACHEMEN1KMT2AMAPT
SCHEMBL6018766 0.87 LSS (0.58) LSSACHEMEN1KMT2AMAPT
SCHEMBL6018758 0.87 LSS (0.58) LSSACHEMEN1KMT2AMAPT
SCHEMBL6019096 0.87 LSS (0.58) LSSACHEMEN1KMT2AMAPT
SCHEMBL6019083 0.87 LSS (0.58) LSSACHEMEN1KMT2AMAPT
SCHEMBL6018770 0.87 LSS (0.58) LSSACHEMEN1KMT2AMAPT

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 1/4885ACHE 1484/4885MEN1 1351/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885ACHE 2571/4885MEN1 1767/4885

“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.