SCHEMBL580875

SCHEMBL580875

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
TSHR P16473 1/20 0.34
DPP4 P27487 2/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL3081055 0.86 NR1H2 (0.34) NR1H2TSHR
SCHEMBL581806 0.81 BRD4 (0.38)
SCHEMBL580913 0.81 FKBP1A (0.33)
SCHEMBL581911 0.80 LMNA (0.38) TSHRDPP4CHRNB4CHRNA3
SCHEMBL581372 0.77 TSHR (0.47) NR1H2TSHRDPP4CHRNB4CHRNA3
SCHEMBL580810 0.76 GRIN2B (0.41)
SCHEMBL15193932 0.74 L3MBTL1 (0.47) TSHRCHRNB4CHRNA3
SCHEMBL26430591 0.74 NR1H2 (0.48) NR1H2
SCHEMBL3088433 0.73 GAA (0.35) TSHR
SCHEMBL3079270 0.73 GAA (0.35) TSHR

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 NR1H2 50/4885TSHR 92/4885DPP4 754/4885

“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.