SCHEMBL5026599

SCHEMBL5026599

CCCc1cnc(N(C)CCC2CCC(C(=O)N3CCCN(CCO)CC3)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
LSS P48449 1/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
HSD11B1 P28845 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
UBE2N P61088 1/20 0.34
ALDH1A1 P00352 3/20 0.34
BLM P54132 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL5026603 1.00 HRH2 (0.36) HRH2HRH1POLBHPGDLSS
SCHEMBL5024156 0.93 HTT (0.36) HRH2HRH1POLBHPGDLSS
SCHEMBL5024160 0.93 HTT (0.36) HRH2HRH1POLBHPGDLSS
SCHEMBL5028549 0.88 LSS (0.42) HRH2HRH1LSSHTTHSD11B1
SCHEMBL5024136 0.88 LSS (0.38) HRH2HRH1LSSHTTHSD11B1
SCHEMBL5024134 0.88 LSS (0.38) HRH2HRH1LSSHTTHSD11B1
SCHEMBL5028551 0.88 LSS (0.42) HRH2HRH1LSSHTTHSD11B1
SCHEMBL5030014 0.83 HTT (0.40) HRH2HRH1HTTHSD11B1L3MBTL1
SCHEMBL5030010 0.83 HTT (0.40) HRH2HRH1HTTHSD11B1L3MBTL1
SCHEMBL5025786 0.78 HTT (0.41) HRH2HRH1HTTHSD11B1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP disclosed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives LSS, CYP51A1, CYP46A1 HRH2 477/4885HRH1 741/4885POLB 3663/4885

“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.