SCHEMBL5024136

SCHEMBL5024136

CN(CCC1CCC(C(=O)N2CCCN(CCO)CC2)CC1)c1ncc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.38
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HSD11B1 P28845 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CNR2 P34972 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
ACKR3 P25106 1/20 0.34
KCNK3 O14649 3/20 0.33
KCNK9 Q9NPC2 3/20 0.33
CCR5 P51681 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 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
SCHEMBL5024134 1.00 LSS (0.38) LSSHTTTP53MEN1KMT2A
SCHEMBL5028551 0.90 LSS (0.42) LSSHTTTP53TLR9TLR7
SCHEMBL5028549 0.90 LSS (0.42) LSSHTTTP53TLR9TLR7
SCHEMBL5025789 0.90 HTT (0.41) HTTMEN1KMT2ATLR9TLR7
SCHEMBL5025786 0.90 HTT (0.41) HTTMEN1KMT2ATLR9TLR7
SCHEMBL5024156 0.90 HTT (0.36) LSSHTTTP53MEN1KMT2A
SCHEMBL5024160 0.90 HTT (0.36) LSSHTTTP53MEN1KMT2A
SCHEMBL5025546 0.88 HTT (0.51) LSSHTTTP53MEN1KMT2A
SCHEMBL5025549 0.88 HTT (0.51) LSSHTTTP53MEN1KMT2A
SCHEMBL5026603 0.88 HRH2 (0.36) LSSHTTTP53MEN1KMT2A

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
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US claimed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 US claimed
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 LSS 1/4885HTT 3816/4885TP53 1234/4885

“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.