SCHEMBL2928048

SCHEMBL2928048

Cc1nc(-c2ccc(O[C@H]3CC[C@H](C(=O)N4CCN(C5CCC5)CC4)CC3)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.47
MAPT P10636 6/20 0.45
TP53 P04637 4/20 0.45
LMNA P02545 7/20 0.45
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2928047 1.00 HRH3 (0.47) HRH3MAPTTP53LMNAACACB
SCHEMBL2927251 0.86 LMNA (0.48) HRH3MAPTTP53LMNAACACB
SCHEMBL2927254 0.86 LMNA (0.48) HRH3MAPTTP53LMNAACACB
SCHEMBL2928055 0.83 HRH3 (0.49) HRH3KCNH2
SCHEMBL2928056 0.83 HRH3 (0.49) HRH3KCNH2
SCHEMBL599098 0.79 L3MBTL3 (0.46) HRH3ACACBACACA
SCHEMBL2930586 0.78 HRH3 (0.53) HRH3KCNH2
SCHEMBL2930585 0.78 HRH3 (0.53) HRH3KCNH2
SCHEMBL7071414 0.76 FASN (0.60) ACACBACACASMN1; SMN2TSHR
SCHEMBL1170059 0.76 L3MBTL3 (0.54) HRH3KDM4E

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 1/4885MAPT 3197/4885TP53 2663/4885

“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.