SCHEMBL580419

SCHEMBL580419

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.34
SLC18A2 Q05940 1/20 0.34
CYP2D6 P10635 1/20 0.32
ANPEP P15144 1/20 0.32
BTK Q06187 1/20 0.32
LMNA P02545 1/20 0.32
FFAR2 O15552 1/20 0.32
XPNPEP2 O43895 1/20 0.31
ACE P12821 1/20 0.31
HSD17B10 Q99714 2/20 0.31
NOTUM Q6P988 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19364759 0.83 TSHR (0.41) RAB9ATSHRCYP2D6FFAR2ALDH1A1
SCHEMBL581103 0.81 GAA (0.35) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL581102 0.81 GAA (0.35) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL3073052 0.81 GAA (0.35) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL581911 0.80 LMNA (0.38) RAB9ATSHRBTKLMNAHSD17B10
SCHEMBL580970 0.78 LMNA (0.36) TSHRBTKLMNAHSD17B10ALDH1A1
SCHEMBL581808 0.78 ALDH1A1 (0.39) TSHRBTKHSD17B10ALDH1A1MAPT
SCHEMBL14268216 0.77 RAB9A (0.44) RAB9ATSHRCYP2D6ACE
SCHEMBL580791 0.77 BRD4 (0.34)
SCHEMBL580852 0.76 PSEN1 (0.49) RAB9AHSD17B10ALDH1A1MAPTHPGD

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 RAB9A 3760/4885TSHR 92/4885SLC18A2 1515/4885

“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.