SCHEMBL586739

SCHEMBL586739

COC(=O)C1CCN(C(=O)OC)C(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHIT1 Q13231 2/20 0.43
CHIA Q9BZP6 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL581154 0.91 CHIT1 (0.43) OPRK1SMN1; SMN2L3MBTL1CHIT1CHIA
SCHEMBL588023 0.88 OPRK1 (0.45) OPRK1SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL587316 0.85 ALDH1A1 (0.47) OPRK1SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL586837 0.85 ALDH1A1 (0.44) OPRK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL586823 0.85 TACR1 (0.44) OPRK1SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL582142 0.84 MAPT (0.45) CHIT1CHIAMAPTTSHRALDH1A1
SCHEMBL3069164 0.84 MAPT (0.45) CHIT1CHIAMAPTTSHRALDH1A1
SCHEMBL3073152 0.84 MAPT (0.45) CHIT1CHIAMAPTTSHRALDH1A1
SCHEMBL587859 0.83 POLB (0.44) OPRK1ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL8481128 0.82 TACR1 (0.50) OPRK1CHIT1CHIAMEN1KMT2A

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 OPRK1 164/4885SMN1; SMN2 2619/4885L3MBTL1 2644/4885

“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.