SCHEMBL6129221

SCHEMBL6129221

CC(C)(C)OC(=O)N1CCC(CC(N)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
DPP4 P27487 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 5/20 0.44
FAAH O00519 1/20 0.44
NR1H2 P55055 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL5574074 0.89 HPGD (0.50) HPGDDPP4KDM4EPKMRECQL
SCHEMBL20618515 0.88 HPGD (0.49) HPGDDPP4KDM4EPKMRECQL
SCHEMBL12061214 0.88 HPGD (0.49) HPGDDPP4KDM4EPKMRECQL
SCHEMBL23850033 0.87 HPGD (0.46) HPGDDPP4KDM4EPKMRECQL
Hydrochloric Acid SCHEMBL28354870 0.87 HPGD (0.48) HPGDDPP4KDM4EPKMRECQL
SCHEMBL1721266 0.86 HPGD (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7515905 0.86 HPGD (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1951766 0.85 HPGD (0.47) HPGDDPP4KDM4EPKMRECQL
SCHEMBL20601220 0.85 HPGD (0.47) HPGDDPP4KDM4EPKMRECQL
SCHEMBL20601413 0.85 DPP4 (0.55) HPGDDPP4KDM4EPKMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878742-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH (US) 2005-04-12 US disclosed
US-20030229127-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH 2003-12-11 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-20030229127-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 HPGD 1143/4885DPP4 3190/4885KDM4E 4101/4885

“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.