SCHEMBL5433253

SCHEMBL5433253

O=C(O)N[C@H]1CCC[C@H](NC(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
EPHX2 P34913 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
BTK Q06187 1/20 0.43
GRM5 P41594 4/20 0.42
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5433248 1.00 EPHX1 (0.44) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL5433245 1.00 EPHX1 (0.44) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL17504487 1.00 EPHX1 (0.44) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL27779679 0.91 BTK (0.39) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL897214 0.89
SCHEMBL15970550 0.89 POLB (0.41) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL5007222 0.89 POLB (0.41) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL10274166 0.89 BTK (0.41) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL25262798 0.86 TRPV1 (0.39) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL14689304 0.86 TRPV1 (0.39) EPHX1NPC1SMN1; SMN2RAB9AEPHX2

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-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070185119-A1 Therapeutic agents II ASTRAZENECA AB (SE) 2007-08-09 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 (2 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-20070185119-A1 Therapeutic agents II HTT, ACHE, GPR119 EPHX1 287/4885NPC1 105/4885SMN1; SMN2 57/4885
US-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 EPHX1 568/4885NPC1 106/4885SMN1; SMN2 142/4885

“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.