SCHEMBL581785

SCHEMBL581785

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLG P00747 7/20 0.46
TACR1 P25103 5/20 0.43
HRH3 Q9Y5N1 1/20 0.40
TACR3 P29371 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL581123 0.90 PLG (0.45) PLGTACR1TACR3
SCHEMBL587265 0.89 PLG (0.43) PLGTACR1HRH3TACR3
SCHEMBL3081759 0.89 PLG (0.43) PLGTACR1HRH3TACR3
SCHEMBL581456 0.89 PLG (0.43) PLGTACR1HRH3TACR3
SCHEMBL580908 0.89 PLG (0.43) PLGTACR1HRH3TACR3
SCHEMBL582656 0.88 PLG (0.60) PLGTACR1HRH3SIGMAR1
SCHEMBL27870001 0.87 PLG (0.44) PLGTACR1SIGMAR1
SCHEMBL581599 0.87 PLG (0.57) PLGTACR1
SCHEMBL582380 0.87 PLG (0.41) PLGTACR1TACR3
SCHEMBL581966 0.86 PLG (0.48) PLG

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 4861/4885TACR1 474/4885HRH3 394/4885

“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.