SCHEMBL580690

SCHEMBL580690

COC(=O)C1CCNC(c2cccc(C(C)(C)C)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
MGLL Q99685 6/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GUSB P08236 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TACR1 P25103 1/20 0.34

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
SCHEMBL581037 0.89 GUSB (0.47) GUSB
Hydrochloric Acid SCHEMBL581053 0.85 SLC6A2 (0.48) SLC6A2
SCHEMBL29892868 0.83 SLC6A3 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL29115937 0.83 SLC6A3 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL29116129 0.83 SLC6A3 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL580939 0.83 SLC6A3 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL29892209 0.83 SLC6A3 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL22467373 0.82 SLC6A3 (0.43) SLC6A3
SCHEMBL22490013 0.82 SLC6A3 (0.43) SLC6A3
SCHEMBL22467371 0.82 SLC6A3 (0.43) SLC6A3

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 SLC6A2 325/4885MGLL 4656/4885RXFP1 418/4885

“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.