SCHEMBL586566

SCHEMBL586566

COC(=O)C1CCN(C(=O)OC)C(c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
HDAC4 P56524 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSEN1 P49768 6/20 0.37
PSEN2 P49810 6/20 0.37
APH1B Q8WW43 6/20 0.37
NCSTN Q92542 6/20 0.37
APH1A Q96BI3 6/20 0.37
PSENEN Q9NZ42 6/20 0.37
SYK P43405 1/20 0.36
PKM P14618 1/20 0.36
LIPE Q05469 1/20 0.36
MMP1 P03956 1/20 0.35
ADAM17 P78536 1/20 0.35
USP30 Q70CQ3 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
SCHEMBL581335 0.92 HRH3 (0.41) HRH3TRPM8FPR1FPR2HDAC4
SCHEMBL3075597 0.85 HRH3 (0.37) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL3085403 0.85 HRH3 (0.37) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL581198 0.85 HRH3 (0.37) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL586946 0.83 TDP1 (0.45) KDM4EMAPTTDP1
SCHEMBL582600 0.82 HRH3 (0.35) HRH3TRPM8FPR1FPR2HDAC4
SCHEMBL582599 0.82 HRH3 (0.35) HRH3TRPM8FPR1FPR2HDAC4
Hydrochloric Acid SCHEMBL581471 0.81 HRH3 (0.35) HRH3KDM4ETRPM8FPR1FPR2
SCHEMBL586674 0.80 NOTUM (0.44) KDM4EMAPTTDP1PSEN1PSEN2
SCHEMBL587352 0.79 SLC6A3 (0.44) MMP1ADAM17

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 HRH3 394/4885KDM4E 2668/4885TRPM8 2189/4885

“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.