SCHEMBL5026543

SCHEMBL5026543

CCc1cnc(N(C)CCC2CCC(C(=O)O)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
DRD2 P14416 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 3/20 0.33
DRD3 P35462 1/20 0.32
NAPEPLD Q6IQ20 2/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5026538 1.00 TAS2R14 (0.35) TAS2R14ALDH1A1TP53SMN1; SMN2PLG
SCHEMBL5026534 0.90 NR1H2 (0.35) TAS2R14ALDH1A1TP53SMN1; SMN2PLG
SCHEMBL5026527 0.90 NR1H2 (0.35) TAS2R14ALDH1A1TP53SMN1; SMN2PLG
SCHEMBL5025529 0.87 TAS2R14 (0.40) TAS2R14ALDH1A1TP53SMN1; SMN2PLG
SCHEMBL5025534 0.87 TAS2R14 (0.40) TAS2R14ALDH1A1TP53SMN1; SMN2PLG
SCHEMBL5025600 0.86 LSS (0.38) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5024111 0.86 PLG (0.35) TAS2R14ALDH1A1SMN1; SMN2PLGPLAT
SCHEMBL5025601 0.86 LSS (0.38) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5028495 0.86 PLG (0.35) TAS2R14ALDH1A1SMN1; SMN2PLGPLAT
SCHEMBL5030212 0.82 TAS2R14 (0.38) TAS2R14ALDH1A1TP53SMN1; SMN2PLG

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 TAS2R14 3158/4885ALDH1A1 2099/4885TP53 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.