SCHEMBL587444

SCHEMBL587444

COC(=O)C1CCN(C(=O)OC)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A4 P31645 8/20 0.44
SLC6A3 Q01959 8/20 0.44
SLC6A2 P23975 6/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL587433 0.95 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1SLC6A4SLC6A3SLC6A2
SCHEMBL581832 0.90 NOTUM (0.44) SMN1; SMN2L3MBTL1SLC6A4SLC6A3SLC6A2
SCHEMBL3079872 0.87 OPRK1 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL587352 0.87 SLC6A3 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL582040 0.87 ALDH1A1 (0.48) SMN1; SMN2SLC6A4SLC6A3SLC6A2MEN1
SCHEMBL586744 0.85 SLC6A2 (0.46) SMN1; SMN2SLC6A2MEN1KMT2A
SCHEMBL586946 0.84 TDP1 (0.45)
SCHEMBL586843 0.84 SLC6A4 (0.47) SLC6A4
SCHEMBL586638 0.84 DPP4 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL586604 0.83 OPRK1 (0.43) SLC6A4SLC6A3SLC6A2

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-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 SMN1; SMN2 2619/4885L3MBTL1 2644/4885SLC6A4 64/4885

“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.