SCHEMBL5026533

SCHEMBL5026533

CCCCNC(=O)OCCN1CCCN(C(=O)C2CCC(CCN(C)c3ncc(Br)cn3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
LSS P48449 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
FPR3 P25089 3/20 0.34
FPR2 P25090 3/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32

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
SCHEMBL5026528 1.00 HRH2 (0.38) HRH2HRH1POLBHPGDLSS
SCHEMBL5026523 0.87 HRH2 (0.39) HRH2HRH1POLBHPGDFPR3
SCHEMBL5024136 0.83 LSS (0.38) HRH2HRH1LSSTLR9TLR7
SCHEMBL5024134 0.83 LSS (0.38) HRH2HRH1LSSTLR9TLR7
SCHEMBL5025546 0.79 HTT (0.51) POLBHPGDLSSPKMMEN1
SCHEMBL5025549 0.79 HTT (0.51) POLBHPGDLSSPKMMEN1
SCHEMBL5026599 0.75 HRH2 (0.36) HRH2HRH1POLBHPGDLSS
SCHEMBL5026603 0.75 HRH2 (0.36) HRH2HRH1POLBHPGDLSS
SCHEMBL5024160 0.75 HTT (0.36) HRH2HRH1POLBHPGDLSS
SCHEMBL5024156 0.75 HTT (0.36) HRH2HRH1POLBHPGDLSS

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.