SCHEMBL2923192

SCHEMBL2923192

CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(-c4cccnc4)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.44
DYRK1A Q13627 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NAMPT P43490 3/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PKM P14618 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
MAP4K4 O95819 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL2923194 1.00 WNT1 (0.44) WNT1DYRK1AALDH1A1NAMPTHTT
SCHEMBL2924564 0.89 HRH3 (0.48) NAMPTLMNAPOLBHRH3MAP4K4
SCHEMBL2924560 0.89 HRH3 (0.48) NAMPTLMNAPOLBHRH3MAP4K4
SCHEMBL2930661 0.85 HRH3 (0.46) ALDH1A1NAMPTLMNAPOLBABL1
SCHEMBL2930662 0.85 HRH3 (0.46) ALDH1A1NAMPTLMNAPOLBABL1
SCHEMBL2924554 0.83 HRH3 (0.47) ALDH1A1HTTLMNAPOLBABL1
SCHEMBL2924552 0.83 HRH3 (0.47) ALDH1A1HTTLMNAPOLBABL1
SCHEMBL2929881 0.80 HRH3 (0.48) ALDH1A1LMNAPOLBHRH3
SCHEMBL2929879 0.80 HRH3 (0.48) ALDH1A1LMNAPOLBHRH3
SCHEMBL3642997 0.80 TBK1 (0.42) ALDH1A1NAMPTLMNAPOLBHRH3

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 7 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
WO-2008151957-A9 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-05 WO 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 WNT1 2340/4885DYRK1A 2236/4885ALDH1A1 344/4885

“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.