SCHEMBL6018399

SCHEMBL6018399

CN1CCN(C[C@H]2CC[C@H](CCN(C)C(=O)Oc3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.51
KDM2B Q8NHM5 1/20 0.41
SLC6A5 Q9Y345 3/20 0.40
CHRM4 P08173 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MCHR1 Q99705 1/20 0.37
LIPE Q05469 1/20 0.37

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
SCHEMBL6018395 1.00 LSS (0.51) LSSKDM2BSLC6A5CHRM4HTR2A
SCHEMBL6019950 0.91 LSS (0.55) LSSSLC6A5HTR2AHTR2CMCHR1
SCHEMBL6019946 0.91 LSS (0.55) LSSSLC6A5HTR2AHTR2CMCHR1
SCHEMBL6019229 0.91 LSS (0.49) LSSKDM2BCHRM4
SCHEMBL6019222 0.91 LSS (0.49) LSSKDM2BCHRM4
SCHEMBL6019936 0.83 LSS (0.52) LSSSLC6A5MCHR1
SCHEMBL6019933 0.83 LSS (0.52) LSSSLC6A5MCHR1
SCHEMBL6019983 0.82 LSS (0.54) LSSSLC6A5CHRM4MCHR1LIPE
SCHEMBL6019988 0.82 LSS (0.54) LSSSLC6A5CHRM4MCHR1LIPE
SCHEMBL6019452 0.81 LSS (0.51) LSSSLC6A5MCHR1

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 1/4885KDM2B 3724/4885SLC6A5 3839/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885KDM2B 3788/4885SLC6A5 4108/4885

“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.