SCHEMBL5025670

SCHEMBL5025670

O=C(O)[C@H]1CC[C@H](CNCc2ncc(Br)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
VCP P55072 16/20 0.41
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5024109 0.88 CHRM4 (0.39) KMT2AMEN1ALDH1A1CYP2C9VCP
SCHEMBL6013543 0.84 KMT2A (0.44) KMT2AMEN1ALDH1A1LMNA
SCHEMBL5025524 0.83 KMT2A (0.43) KMT2AMEN1ALDH1A1CYP2C9VCP
SCHEMBL1292139 0.81 VCP (0.53) VCP
SCHEMBL5024050 0.77 HTT (0.53) KMT2AMEN1ALDH1A1CYP2C9LMNA
SCHEMBL5025785 0.75 SIGMAR1 (0.38) KMT2AMEN1ALDH1A1
SCHEMBL5025599 0.74 PLG (0.38) KMT2AMEN1ALDH1A1CYP2C9VCP
SCHEMBL5026536 0.72 PLG (0.36) KMT2AMEN1ALDH1A1CYP2C9VCP
SCHEMBL25339676 0.72 PLG (0.60) KMT2AMEN1ALDH1A1CYP2C9VCP
SCHEMBL21174844 0.72 PLG (0.60) KMT2AMEN1ALDH1A1CYP2C9VCP

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP claimed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO 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 KMT2A 1378/4885MEN1 989/4885ALDH1A1 2099/4885

“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.