SCHEMBL581503

SCHEMBL581503

COC(=O)C1CCNC(Cc2cccc(F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.53
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CCR3 P51677 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL580821 0.88 PLG (0.38) PLGSLC6A2SLC6A4CCR3SLC6A3
SCHEMBL580826 0.86 PLG (0.50) PLGSLC6A2SLC6A4CCR3SLC6A3
SCHEMBL580899 0.86 PLG (0.48) PLGSLC6A2SLC6A4CCR3SLC6A3
SCHEMBL581052 0.85 POLB (0.43) KMT2ASLC6A2SLC6A4
SCHEMBL581181 0.84 ALDH1A1 (0.42) PLGSLC6A2SLC6A4CCR3SLC6A3
SCHEMBL580694 0.83 CYP3A4 (0.41) PLGKMT2A
SCHEMBL580896 0.81 ALDH1A1 (0.43) PLGSLC6A2SLC6A4SLC6A3
SCHEMBL580853 0.81 DPP4 (0.48) PLGSLC6A3
Hydrochloric Acid SCHEMBL581112 0.81 HTR2A (0.36) PLGKMT2ASLC6A2SLC6A4CCR3
SCHEMBL581126 0.81 MAPT (0.40) PLGSLC6A4

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 PLG 4861/4885HRH3 394/4885KMT2A 3820/4885

“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.