SCHEMBL3079872

SCHEMBL3079872

COC(=O)C1CCN(C(=O)OC)C(c2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.37
STS P08842 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
NOTUM Q6P988 1/20 0.36
TP53 P04637 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL580596 0.90 NOTUM (0.45) OPRK1SMN1; SMN2MAPTSTSCHRNB4
SCHEMBL587444 0.87 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL586973 0.86 OPRK1 (0.39) OPRK1SMN1; SMN2L3MBTL1LMNAMEN1
SCHEMBL587299 0.84 DPP4 (0.36) OPRK1MEN1KMT2AALDH1A1MAPT
SCHEMBL587433 0.83 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1MAPTNOTUM
SCHEMBL586626 0.83 OPRK1 (0.37) OPRK1SMN1; SMN2L3MBTL1LMNAMEN1
SCHEMBL3078571 0.82 GAA (0.35) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL3075515 0.82 GAA (0.35) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL581434 0.82 GAA (0.35) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL582040 0.82 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 OPRK1 164/4885SMN1; SMN2 2619/4885L3MBTL1 2644/4885

“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.