SCHEMBL586918

SCHEMBL586918

COC(=O)C1CCN(C(=O)OC)C(Cc2cc(F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 2/20 0.42
HTT P42858 1/20 0.42
TACR1 P25103 8/20 0.41
OPRK1 P41145 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CETP P11597 2/20 0.38
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CCR2 P41597 1/20 0.35
CXCR3 P49682 1/20 0.35
SCN9A Q15858 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
SCHEMBL581312 0.92 TACR1 (0.43) MAPTTDP1CYP3A4HTTTACR1
SCHEMBL587405 0.90 OPRK1 (0.43) MAPTTDP1CYP3A4HTTTACR1
SCHEMBL581858 0.86 CYP3A4 (0.38) MAPTTDP1CYP3A4HTTTACR1
SCHEMBL3074811 0.86 CYP3A4 (0.38) MAPTTDP1CYP3A4HTTTACR1
SCHEMBL581857 0.86 CYP3A4 (0.38) MAPTTDP1CYP3A4HTTTACR1
SCHEMBL586714 0.86 TACR1 (0.46) MAPTTACR1OPRK1TSHRCETP
SCHEMBL586823 0.85 TACR1 (0.44) MAPTTDP1CYP3A4HTTTACR1
SCHEMBL587545 0.84 OPRK1 (0.42) MAPTTDP1CYP3A4HTTTACR1
SCHEMBL586719 0.83 OPRK1 (0.42) MAPTTDP1CYP3A4HTTTACR1
SCHEMBL587423 0.82 TACR1 (0.45) MAPTTACR1TSHRCETPALDH1A1

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 MAPT 4513/4885TDP1 3355/4885CYP3A4 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.