SCHEMBL581779

SCHEMBL581779

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 8/20 0.43
TACR1 P25103 8/20 0.40
TACR3 P29371 1/20 0.37
P2RX3 P56373 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3085052 1.00 PLG (0.43) PLGTACR1TACR3P2RX3CYP3A4
SCHEMBL3068999 1.00 PLG (0.43) PLGTACR1TACR3P2RX3CYP3A4
SCHEMBL582135 1.00 PLG (0.43) PLGTACR1TACR3P2RX3CYP3A4
SCHEMBL587413 1.00 PLG (0.43) PLGTACR1TACR3P2RX3CYP3A4
SCHEMBL587277 0.92 PLG (0.41) PLGTACR1CYP3A4
SCHEMBL580880 0.92 PLG (0.41) PLGTACR1CYP3A4
SCHEMBL581973 0.92 PLG (0.41) PLGTACR1CYP3A4
SCHEMBL581234 0.92 PLG (0.41) PLGTACR1CYP3A4
SCHEMBL580908 0.90 PLG (0.43) PLGTACR1TACR3HRH3
SCHEMBL587265 0.90 PLG (0.43) PLGTACR1TACR3HRH3

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 474/4885TACR3 383/4885

“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.