SCHEMBL2929048

SCHEMBL2929048

CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(-c4nnc(C(F)(F)F)o4)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
LMNA P02545 2/20 0.42
HDAC1 Q13547 2/20 0.41
FAAH O00519 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.40
KCNH2 Q12809 8/20 0.40
MCHR1 Q99705 8/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2929051 1.00 HRH3 (0.42) HRH3LMNAHDAC1FAAHEPHX2
SCHEMBL2926253 0.92 LMNA (0.43) HRH3LMNAFAAHEPHX2POLB
SCHEMBL2926250 0.92 LMNA (0.43) HRH3LMNAFAAHEPHX2POLB
SCHEMBL2927290 0.87 FAAH (0.47) HRH3LMNAFAAHEPHX2POLB
SCHEMBL2927293 0.87 FAAH (0.47) HRH3LMNAFAAHEPHX2POLB
SCHEMBL2929889 0.86 LMNA (0.44) HRH3LMNAPOLBKCNH2MCHR1
SCHEMBL2929888 0.86 LMNA (0.44) HRH3LMNAPOLBKCNH2MCHR1
SCHEMBL2924545 0.85 MAPT (0.44) HRH3LMNAPOLBKCNH2MCHR1
SCHEMBL2924546 0.85 MAPT (0.44) HRH3LMNAPOLBKCNH2MCHR1
SCHEMBL2930146 0.81 KMT2A (0.46) HRH3LMNAPOLBL3MBTL1MAPT

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 1/4885LMNA 2554/4885HDAC1 84/4885

“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.