SCHEMBL5737599

SCHEMBL5737599

C=C(C)c1cccc(C2(C(N)=O)CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
HDAC4 P56524 3/20 0.43
BACE1 P56817 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
AKR1C1 Q04828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MLYCD O95822 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36
HTT P42858 1/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35

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
SCHEMBL5737601 0.79
SCHEMBL13386512 0.77 PARP1 (0.48) LMNAOPRM1OPRD1OPRK1L3MBTL1
SCHEMBL3170834 0.76 LMNA (0.54) LMNAHDAC4BACE1AKR1C1MEN1
SCHEMBL29529336 0.76 SLC6A4 (0.54) LMNAHDAC4AKR1C1
SCHEMBL16266715 0.76 LMNA (0.54) LMNAHDAC4AKR1C1MEN1KMT2A
SCHEMBL28872387 0.76 SLC6A4 (0.54) LMNAHDAC4AKR1C1
SCHEMBL8298271 0.75 LMNA (0.54) LMNAHDAC4BACE1AKR1C1MEN1
SCHEMBL5668891 0.75 LMNA (0.65) LMNAHDAC4OPRM1OPRD1OPRK1
SCHEMBL7802441 0.75 LMNA (0.53) LMNAHDAC4OPRD1AKR1C1
SCHEMBL43810 0.74 AKR1C1 (0.68) LMNAHDAC4AKR1C1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734942-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD LMNA 829/4885HDAC4 711/4885BACE1 98/4885

“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.