SCHEMBL586949

SCHEMBL586949

O=C(O)C1CCN(C(=O)O)C(CC2CCCCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ANPEP P15144 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
TACR1 P25103 1/20 0.31
EPHX1 P07099 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL581808 0.84 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TACR1TSHRPOLB
SCHEMBL586873 0.82 IL1B (0.30)
SCHEMBL587882 0.78 HCRTR2 (0.36)
SCHEMBL11155986 0.77 NEK2 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL581000 0.76 POLB (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL6261069 0.72 TACR1 (0.36) TACR1
SCHEMBL11363150 0.71 ANPEP (0.51) SMN1; SMN2ANPEPGRM2GRM3EPHX1
SCHEMBL1287027 0.70
SCHEMBL1287087 0.70 TSHR (0.42) SMN1; SMN2ALDH1A1TSHR
SCHEMBL6952343 0.70 L3MBTL1 (0.49) SMN1; SMN2TACR1POLB

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 SMN1; SMN2 2619/4885ANPEP 4191/4885GRM2 1234/4885

“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.