SCHEMBL581806

SCHEMBL581806

COC(=O)N1CCC(CO)CC1CC(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
CHRM3 P20309 6/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
LMNA P02545 1/20 0.36
NPY2R P49146 1/20 0.35
RIPK1 Q13546 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
RBP4 P02753 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL581880 0.85 NPC1 (0.38) NPY2RRIPK1PSEN1PSEN2APH1B
SCHEMBL581874 0.84 LMNA (0.34) BRD4KDM4EPKMCHRM3CHRM2
SCHEMBL580875 0.81 NR1H2 (0.35)
SCHEMBL581678 0.78 PKM (0.36) KDM4EPKMCHRM1
SCHEMBL581350 0.78 PKM (0.36) KDM4EPKMCHRM1
SCHEMBL581349 0.78 PKM (0.36) KDM4EPKMCHRM1
SCHEMBL580810 0.77 GRIN2B (0.41) KDM4ECHRM3LMNAPSEN1PSEN2
SCHEMBL582004 0.76 PLG (0.41) NPY2RPSEN1PSEN2APH1BNCSTN
SCHEMBL582003 0.76 PLG (0.41) NPY2RPSEN1PSEN2APH1BNCSTN
SCHEMBL602311 0.76 PLG (0.41) NPY2RPSEN1PSEN2APH1BNCSTN

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 BRD4 208/4885KDM4E 2668/4885PKM 4789/4885

“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.