SCHEMBL6019508

SCHEMBL6019508

CN(CC1CCC(CN2CCCCC2)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.53
MAPT P10636 4/20 0.48
TP53 P04637 1/20 0.48
KDM2B Q8NHM5 2/20 0.45
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
LIPE Q05469 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL6019511 1.00 LSS (0.53) LSSMAPTTP53KDM2BLMNA
SCHEMBL6018700 0.99 LSS (0.51) LSSMAPTTP53KDM2BLMNA
SCHEMBL6018699 0.99 LSS (0.51) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019147 0.89 LSS (0.53) LSSHRH3
SCHEMBL6019150 0.89 LSS (0.53) LSSHRH3
SCHEMBL6019125 0.89 LSS (0.64) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019128 0.89 LSS (0.64) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019829 0.88 LSS (0.65) LSSMAPTTP53KDM2BLMNA
SCHEMBL6019832 0.88 LSS (0.65) LSSMAPTTP53KDM2BLMNA
SCHEMBL6018729 0.87 LSS (0.52) LSSHRH3

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 1/4885MAPT 4787/4885TP53 3244/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885MAPT 4784/4885TP53 4104/4885

“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.