SCHEMBL580878

SCHEMBL580878

COC(=O)N1CCC(C(=O)O)CC1c1ccc(Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.40
CHRNA3 P32297 1/20 0.39
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A2 P23975 2/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NOTUM Q6P988 6/20 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
SCHEMBL586604 0.91 OPRK1 (0.43) OPRK1CHRNA3SLC6A4SLC6A3SLC6A2
SCHEMBL580676 0.90 FFAR2 (0.41) OPRK1
SCHEMBL580874 0.87 CHRNB4 (0.35) OPRK1CHRNA3NOTUM
SCHEMBL587510 0.87 NOTUM (0.40) CHRNA3NOTUM
SCHEMBL587515 0.86 FFAR2 (0.39) OPRK1SLC6A4SLC6A3SLC6A2
SCHEMBL580849 0.85 P2RX7 (0.35) CHRNA3NOTUM
SCHEMBL580803 0.85 NOTUM (0.42) CHRNA3DRD4DRD3NOTUM
SCHEMBL581402 0.84 SMN1; SMN2 (0.38) OPRK1CHRNA3DRD4DRD3SIGMAR1
SCHEMBL581403 0.84 SMN1; SMN2 (0.38) OPRK1CHRNA3DRD4DRD3SIGMAR1
SCHEMBL3069685 0.84 SMN1; SMN2 (0.38) OPRK1CHRNA3DRD4DRD3SIGMAR1

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 5 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
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN 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 OPRK1 164/4885CHRNA3 261/4885SLC6A4 64/4885

“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.