SCHEMBL5026534

SCHEMBL5026534

CCCc1cnc(N(C)CCC2CCC(C(=O)O)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
DRD2 P14416 2/20 0.34
ACHE P22303 2/20 0.34
NAPEPLD Q6IQ20 5/20 0.33
DRD3 P35462 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AOC3 Q16853 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 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
SCHEMBL5026527 1.00 NR1H2 (0.35) NR1H2NR1H3DRD2ACHENAPEPLD
SCHEMBL5026538 0.90 TAS2R14 (0.35) DRD2ACHENAPEPLDDRD3CYP4F2
SCHEMBL5026543 0.90 TAS2R14 (0.35) DRD2ACHENAPEPLDDRD3CYP4F2
SCHEMBL5028495 0.84 PLG (0.35) DRD2ACHECYP4F2CYP4A11PLG
SCHEMBL5024111 0.84 PLG (0.35) DRD2ACHECYP4F2CYP4A11PLG
SCHEMBL5025601 0.84 LSS (0.38) ACHECYP4F2CYP4A11PLGPLAT
SCHEMBL5025600 0.84 LSS (0.38) ACHECYP4F2CYP4A11PLGPLAT
SCHEMBL5026599 0.78 HRH2 (0.36) MEN1KMT2AALDH1A1PKMTP53
SCHEMBL5026603 0.78 HRH2 (0.36) MEN1KMT2AALDH1A1PKMTP53
SCHEMBL5025534 0.77 TAS2R14 (0.40) CYP4F2CYP4A11PLGPLATLMNA

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 NR1H2 35/4885NR1H3 28/4885DRD2 1952/4885

“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.