SCHEMBL5025600

SCHEMBL5025600

CN(CC[C@H]1CC[C@H](C(=O)O)CC1)c1ncc(Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.38
PTGDR2 Q9Y5Y4 9/20 0.36
VCP P55072 4/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
MELK Q14680 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL5025601 1.00 LSS (0.38) LSSPTGDR2VCPPLGPLAT
SCHEMBL5024111 0.87 PLG (0.35) LSSVCPPLGPLATLMNA
SCHEMBL5028495 0.87 PLG (0.35) LSSVCPPLGPLATLMNA
SCHEMBL5026538 0.86 TAS2R14 (0.35) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5026543 0.86 TAS2R14 (0.35) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5026527 0.84 NR1H2 (0.35) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5026534 0.84 NR1H2 (0.35) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5025573 0.80 HTT (0.51) LSSLMNA
SCHEMBL5028551 0.77 LSS (0.42) LSSLMNA
SCHEMBL5024146 0.74 PTGDR2 (0.41) PTGDR2VCP

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 LSS 1/4885PTGDR2 358/4885VCP 2150/4885

“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.