SCHEMBL581335

SCHEMBL581335

COC(=O)N1CCC(C(=O)O)CC1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
HDAC4 P56524 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
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
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
CHRM4 P08173 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
LIPE Q05469 1/20 0.36
USP30 Q70CQ3 1/20 0.35
EPHX2 P34913 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
SCHEMBL586566 0.92 HRH3 (0.41) HRH3HDAC4TRPM8FPR1FPR2
SCHEMBL582599 0.89 HRH3 (0.35) HRH3HDAC4TRPM8FPR1FPR2
SCHEMBL582600 0.89 HRH3 (0.35) HRH3HDAC4TRPM8FPR1FPR2
SCHEMBL3075310 0.88 HRH3 (0.45) HRH3HDAC4TRPM8PSEN1PSEN2
SCHEMBL581198 0.85 HRH3 (0.37) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL3075597 0.85 HRH3 (0.37) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL3085403 0.85 HRH3 (0.37) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL582132 0.83 NOTUM (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL581471 0.81 HRH3 (0.35) HRH3HDAC4TRPM8FPR1FPR2
SCHEMBL586674 0.80 NOTUM (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN 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 394/4885HDAC4 39/4885TRPM8 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.