SCHEMBL2924545

SCHEMBL2924545

CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(-c4nnc(C5CC5)o4)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.43
KCNH2 Q12809 9/20 0.42
MCHR1 Q99705 9/20 0.42
POLB P06746 2/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL2924546 1.00 MAPT (0.44) MAPTLMNAKCNH2MCHR1POLB
SCHEMBL2927290 0.89 FAAH (0.47) MAPTLMNAKCNH2MCHR1POLB
SCHEMBL2927293 0.89 FAAH (0.47) MAPTLMNAKCNH2MCHR1POLB
SCHEMBL2929889 0.88 LMNA (0.44) MAPTLMNAKCNH2MCHR1POLB
SCHEMBL2929888 0.88 LMNA (0.44) MAPTLMNAKCNH2MCHR1POLB
SCHEMBL2926250 0.86 LMNA (0.43) MAPTLMNAKCNH2MCHR1POLB
SCHEMBL2926253 0.86 LMNA (0.43) MAPTLMNAKCNH2MCHR1POLB
SCHEMBL2929048 0.85 HRH3 (0.42) MAPTLMNAKCNH2MCHR1POLB
SCHEMBL2929051 0.85 HRH3 (0.42) MAPTLMNAKCNH2MCHR1POLB
SCHEMBL2930146 0.83 KMT2A (0.46) MAPTLMNAPOLBHRH3KMT2A

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 MAPT 3197/4885LMNA 2554/4885KCNH2 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.