SCHEMBL6018682

SCHEMBL6018682

CN(CC1CCC(COCCCCN2CCCCC2)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 16/20 0.51
LSS P48449 1/20 0.46

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
SCHEMBL6018685 1.00 MEN1 (0.52) MEN1KMT2AHRH3LSS
SCHEMBL6019070 0.99 MEN1 (0.50) MEN1KMT2AHRH3
SCHEMBL6019064 0.99 MEN1 (0.50) MEN1KMT2AHRH3
SCHEMBL6018729 0.90 LSS (0.52) MEN1KMT2AHRH3LSS
SCHEMBL6018726 0.90 LSS (0.52) MEN1KMT2AHRH3LSS
SCHEMBL6018668 0.88 LSS (0.52) MEN1KMT2AHRH3LSS
SCHEMBL6018670 0.88 LSS (0.52) MEN1KMT2AHRH3LSS
SCHEMBL6019147 0.86 LSS (0.53) MEN1KMT2AHRH3LSS
SCHEMBL6019150 0.86 LSS (0.53) MEN1KMT2AHRH3LSS
SCHEMBL4804956 0.85 LSS (0.61) MEN1KMT2AHRH3LSS

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 MEN1 1351/4885KMT2A 3669/4885HRH3 3277/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 MEN1 1767/4885KMT2A 3436/4885HRH3 4086/4885

“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.