SCHEMBL581121

SCHEMBL581121

COC(=O)C1CCNC(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 2/20 0.41
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 7/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 6/20 0.39
OPRK1 P41145 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
SCHEMBL580826 0.87 PLG (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL580899 0.87 PLG (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL581181 0.85 ALDH1A1 (0.42) SMN1; SMN2L3MBTL1SLC6A4SLC6A3SLC6A2
SCHEMBL582065 0.84 SLC6A4 (0.42) SMN1; SMN2SLC6A4KMT2A
SCHEMBL581990 0.84 CYP3A4 (0.43) CYP3A4KMT2A
SCHEMBL28813336 0.84 ALDH1A1 (0.42)
Hydrochloric Acid SCHEMBL581891 0.83 ALDH1A1 (0.41)
SCHEMBL581932 0.82 HTR2C (0.49) SMN1; SMN2
SCHEMBL580821 0.81 PLG (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL3073226 0.80 CHRNB2 (0.32) SMN1; SMN2MEN1KMT2AOPRK1

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
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 SMN1; SMN2 2619/4885L3MBTL1 2644/4885CYP3A4 21/4885

“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.