SCHEMBL2925148

SCHEMBL2925148

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](Oc3ccc(-c4ccc(F)c(F)c4)cn3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.47
HRH3 Q9Y5N1 7/20 0.46
KCNH2 Q12809 4/20 0.43
PIK3CD O00329 2/20 0.43
NAMPT P43490 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
GRIN2B Q13224 1/20 0.40
SOAT1 P35610 2/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL2924405 1.00 DGAT1 (0.47) DGAT1HRH3KCNH2PIK3CDNAMPT
SCHEMBL2924458 0.82 HRH3 (0.52) HRH3NAMPT
SCHEMBL2924457 0.82 HRH3 (0.52) HRH3NAMPT
SCHEMBL2927075 0.80 NAMPT (0.46) DGAT1HRH3NAMPT
SCHEMBL2927073 0.80 NAMPT (0.46) DGAT1HRH3NAMPT
SCHEMBL2924536 0.80 HRH3 (0.57) HRH3
SCHEMBL2924533 0.80 HRH3 (0.57) HRH3
SCHEMBL2927109 0.78 GPR119 (0.57) DGAT1HRH3NAMPT
SCHEMBL2924911 0.78 DPP4 (0.51) DGAT1HRH3NAMPT
SCHEMBL2924912 0.78 DPP4 (0.51) DGAT1HRH3NAMPT

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 9 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
EP-2158189-A1 CYCLOHEXYL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-03-03 EP disclosed
US-7544683-B2 Cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US disclosed
WO-2008151957-A9 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-05 WO disclosed
US-20090005380-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-01 US disclosed
WO-2008151957-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-18 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 (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 DGAT1 4173/4885HRH3 1/4885KCNH2 824/4885

“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.