SCHEMBL5025786

SCHEMBL5025786

CN(C[C@H]1CC[C@H](C(=O)N2CCCN(CCO)CC2)CC1)c1ncc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.38
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
GRIN2B Q13224 1/20 0.35
HSD11B1 P28845 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
ACKR3 P25106 1/20 0.35
TBK1 Q9UHD2 2/20 0.34
KCNK3 O14649 3/20 0.34
KCNK9 Q9NPC2 3/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34

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
SCHEMBL5025789 1.00 HTT (0.41) HTTLMNATLR9TLR7GRIN2B
SCHEMBL5024136 0.90 LSS (0.38) HTTLMNATLR9TLR7HSD11B1
SCHEMBL5024134 0.90 LSS (0.38) HTTLMNATLR9TLR7HSD11B1
SCHEMBL5030014 0.89 HTT (0.40) HTTLMNATLR9TLR7GRIN2B
SCHEMBL5030010 0.89 HTT (0.40) HTTLMNATLR9TLR7GRIN2B
SCHEMBL5024054 0.89 HTT (0.54) HTTLMNAGRIN2BHSD11B1KMT2A
SCHEMBL5024052 0.89 HTT (0.54) HTTLMNAGRIN2BHSD11B1KMT2A
SCHEMBL5025785 0.81 SIGMAR1 (0.38) HTTHSD11B1SIGMAR1MMP2MMP13
SCHEMBL5028551 0.80 LSS (0.42) HTTLMNATLR9TLR7HSD11B1
SCHEMBL5028549 0.80 LSS (0.42) HTTLMNATLR9TLR7HSD11B1

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 HTT 3816/4885LMNA 1652/4885TLR9 3399/4885

“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.