SCHEMBL2924533

SCHEMBL2924533

CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.57
LIPE Q05469 9/20 0.55
SCN9A Q15858 2/20 0.52
LIPG Q9Y5X9 1/20 0.48
EPHX2 P34913 1/20 0.47
HSD11B1 P28845 1/20 0.44

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
SCHEMBL2924536 1.00 HRH3 (0.57) HRH3LIPESCN9ALIPGEPHX2
SCHEMBL20147461 0.84 LIPE (0.57) HRH3LIPESCN9ALIPGEPHX2
SCHEMBL2924458 0.84 HRH3 (0.52) HRH3
SCHEMBL2927075 0.84 NAMPT (0.46) HRH3
SCHEMBL2924457 0.84 HRH3 (0.52) HRH3
SCHEMBL2927073 0.84 NAMPT (0.46) HRH3
SCHEMBL2925937 0.82 HRH3 (0.48) HRH3
SCHEMBL2925933 0.82 HRH3 (0.48) HRH3
SCHEMBL2928375 0.82 SMN1; SMN2 (0.52) HRH3LIPESCN9A
SCHEMBL2928370 0.82 SMN1; SMN2 (0.52) HRH3LIPESCN9A

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-2158189-B1 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
US-7544683-B2 Cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US claimed
US-20090005380-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-01 US claimed
EP-2158189-B1 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
US-7544683-B2 Cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US disclosed
US-20090005380-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-01 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 (1 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-20090005380-A1 CYCLOHEXYL DERIVATIVES HRH3, HRH4, HCAR2 HRH3 1/4885LIPE 3714/4885SCN9A 1801/4885

“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.