SCHEMBL2924469

SCHEMBL2924469

CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(N4CCCC4=O)cn3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.61
HRH1 P35367 1/20 0.42
ACACB O00763 1/20 0.41
NAMPT P43490 3/20 0.41
IDH1 O75874 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
SCHEMBL2924472 1.00 HRH3 (0.61) HRH3HRH1ACACBNAMPTIDH1
SCHEMBL2923294 0.87 HRH3 (0.54) HRH3ACACB
SCHEMBL2923295 0.87 HRH3 (0.54) HRH3ACACB
SCHEMBL2924869 0.86 HRH3 (0.51) HRH3NAMPT
SCHEMBL2924865 0.86 HRH3 (0.51) HRH3NAMPT
SCHEMBL2924525 0.84 HRH3 (0.52) HRH3
SCHEMBL2924527 0.84 HRH3 (0.52) HRH3
SCHEMBL2926099 0.80 HRH3 (0.48) HRH3
SCHEMBL2926101 0.80 HRH3 (0.48) HRH3
SCHEMBL2927073 0.79 NAMPT (0.46) HRH3NAMPT

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 1/4885HRH1 4/4885ACACB 1771/4885

“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.