SCHEMBL5025549

SCHEMBL5025549

CN1CCCN(C(=O)C2CCC(CCN(C)c3ncc(Br)cn3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.47
LSS P48449 1/20 0.41
POLB P06746 3/20 0.39
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 2/20 0.35
UBE2N P61088 1/20 0.35
PKM P14618 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5025546 1.00 HTT (0.51) HTTLMNALSSPOLBHPGD
SCHEMBL5024054 0.90 HTT (0.54) HTTLMNAPOLBHPGDTP53
SCHEMBL5024052 0.90 HTT (0.54) HTTLMNAPOLBHPGDTP53
SCHEMBL5025571 0.90 HTT (0.51) HTTLMNALSSPOLBHPGD
SCHEMBL5025573 0.90 HTT (0.51) HTTLMNALSSPOLBHPGD
SCHEMBL5024136 0.88 LSS (0.38) HTTLMNALSSTP53HSD11B1
SCHEMBL5024134 0.88 LSS (0.38) HTTLMNALSSTP53HSD11B1
SCHEMBL5026626 0.82 HTT (0.45) HTTLMNALSSHPGDSMN1; SMN2
SCHEMBL5026629 0.82 HTT (0.45) HTTLMNALSSHPGDSMN1; SMN2
SCHEMBL5025545 0.80 HTT (0.50) HTTLMNAPOLBHPGDTP53

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 1652/4885LSS 1/4885

“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.