SCHEMBL5026536

SCHEMBL5026536

CCc1cnc(CNCC[C@H]2CC[C@H](C(=O)O)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.36
DRD2 P14416 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
MCHR1 Q99705 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
VCP P55072 4/20 0.33
RORC P51449 1/20 0.32
GAA P10253 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL5025524 0.88 KMT2A (0.43) PLGPLATLMNAMEN1KMT2A
SCHEMBL5024109 0.85 CHRM4 (0.39) PLGPLATLMNAMEN1KMT2A
SCHEMBL5025599 0.85 PLG (0.38) PLGPLATLMNAMEN1KMT2A
SCHEMBL5026538 0.73 TAS2R14 (0.35) PLGPLATLMNAMEN1KMT2A
SCHEMBL5026543 0.73 TAS2R14 (0.35) PLGPLATLMNAMEN1KMT2A
SCHEMBL5025670 0.72 KMT2A (0.42) PLGPLATLMNAMEN1KMT2A
SCHEMBL5025534 0.70 TAS2R14 (0.40) PLGPLATLMNAMEN1KMT2A
SCHEMBL5025529 0.70 TAS2R14 (0.40) PLGPLATLMNAMEN1KMT2A
SCHEMBL720806 0.68 ACACB (0.40) ALDH1A1TP53SMN1; SMN2
SCHEMBL5030212 0.67 TAS2R14 (0.38) PLGPLATLMNAMEN1KMT2A

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 PLG 2104/4885PLAT 3049/4885LMNA 1652/4885

“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.