SCHEMBL5025545

SCHEMBL5025545

CN1CCCN(C(=O)C2CCC(CCNCc3ncc(Br)cn3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.38
ADAM10 O14672 1/20 0.38
ERBB2 P04626 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
CNR2 P34972 5/20 0.37
SIGMAR1 Q99720 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ALDH1A1 P00352 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PDE7A Q13946 1/20 0.35

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
SCHEMBL5024050 0.91 HTT (0.53) HTTLMNAHPGDPOLBADAM10
SCHEMBL5025568 0.90 HTT (0.50) HTTLMNAHPGDPOLBSIGMAR1
SCHEMBL5024131 0.87 HSD11B1 (0.36) HTTMMP2CNR2SIGMAR1TP53
SCHEMBL5025549 0.80 HTT (0.51) HTTLMNAHPGDPOLBCNR2
SCHEMBL5025546 0.80 HTT (0.51) HTTLMNAHPGDPOLBCNR2
SCHEMBL5026523 0.80 HRH2 (0.39) HTTHPGDPOLBMMP9HSD11B1
SCHEMBL5024052 0.79 HTT (0.54) HTTLMNAHPGDPOLBCNR2
SCHEMBL5024054 0.79 HTT (0.54) HTTLMNAHPGDPOLBCNR2
SCHEMBL5024109 0.79 CHRM4 (0.39) LMNAPOLBSIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL5024148 0.78 HSD11B1 (0.39) HTTHPGDPOLBCNR2SIGMAR1

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 HTT 3816/4885LMNA 1652/4885HPGD 548/4885

“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.