SCHEMBL3073995

SCHEMBL3073995

COC(=O)C1CCN(C(=O)OC)C(CC2CCC(F)(F)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.35
IL1B P01584 4/20 0.34
P2RX7 Q99572 4/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 4/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL587150 0.95 OPRK1 (0.33) OPRK1IL1BP2RX7TP53ALDH1A1
SCHEMBL580791 0.90 BRD4 (0.34) IL1BP2RX7EPHX2
SCHEMBL581649 0.83 GAA (0.32) IL1BP2RX7ALDH1A1GAAMAPT
SCHEMBL582194 0.83 GAA (0.32) IL1BP2RX7ALDH1A1GAAMAPT
SCHEMBL3078365 0.83 GAA (0.32) IL1BP2RX7ALDH1A1GAAMAPT
SCHEMBL1287102 0.79 OPRK1 (0.42) OPRK1TP53ALDH1A1GAASMN1; SMN2
SCHEMBL586873 0.76 IL1B (0.30) IL1BP2RX7
SCHEMBL581808 0.74 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2MAPTHSD17B10
SCHEMBL1287003 0.73 OPRK1 (0.41) OPRK1TP53ALDH1A1POLBGAA
SCHEMBL582007 0.73 PLG (0.41) IL1BP2RX7

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 2 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
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 164/4885IL1B 4852/4885P2RX7 873/4885

“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.