SCHEMBL582187

SCHEMBL582187

COC(=O)C1CCN(C(=O)OC)C(C2CCCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 6/20 0.42
OPRK1 P41145 1/20 0.39
CYP3A4 P08684 2/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL581337 0.88 SMN1; SMN2 (0.38) SMN1; SMN2POLBTP53ALDH1A1CYP3A4
SCHEMBL581569 0.79 ALDH1A1 (0.39) POLBALDH1A1GAATSHRMAPT
SCHEMBL587178 0.79 ALDH1A1 (0.39) POLBALDH1A1GAATSHRMAPT
SCHEMBL13094499 0.77 SMN1; SMN2 (0.43) SMN1; SMN2POLBTP53ALDH1A1OPRK1
SCHEMBL30477417 0.76 DPP7 (0.46) SMN1; SMN2POLBOPRK1TSHR
SCHEMBL586648 0.73 SMN1; SMN2 (0.39) SMN1; SMN2POLBTP53ALDH1A1OPRK1
SCHEMBL14247326 0.73 NPC1 (0.43) SMN1; SMN2POLBALDH1A1OPRK1GAA
SCHEMBL1287003 0.72 OPRK1 (0.41) SMN1; SMN2POLBTP53ALDH1A1OPRK1
SCHEMBL13737943 0.72 CHRNB2 (0.39) SMN1; SMN2OPRK1CHRNB2CHRNB4CHRNA3
SCHEMBL587449 0.72 TP53 (0.41) SMN1; SMN2POLBTP53ALDH1A1OPRK1

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 SMN1; SMN2 2619/4885POLB 4067/4885TP53 2618/4885

“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.