SCHEMBL586714

SCHEMBL586714

COC(=O)C1CCN(C(=O)OC)C(Cc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.46
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 1/20 0.41
CETP P11597 1/20 0.40

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
SCHEMBL587423 0.96 TACR1 (0.45) TACR1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL581110 0.92 TACR1 (0.48) TACR1KMT2ATSHRHRH3SIGMAR1
SCHEMBL586823 0.87 TACR1 (0.44) TACR1KMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL586767 0.86 ALDH1A1 (0.43) KMT2AALDH1A1SIGMAR1MAPTHPGD
SCHEMBL582055 0.86 ALDH1A1 (0.45) TACR1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL3075286 0.86 ALDH1A1 (0.45) TACR1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL581695 0.86 ALDH1A1 (0.45) TACR1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL586918 0.86 MAPT (0.44) TACR1TSHRALDH1A1MAPTOPRK1
SCHEMBL587559 0.84 TACR1 (0.43) TACR1KMT2AALDH1A1MAPTHPGD
SCHEMBL587185 0.83 OPRK1 (0.42) TACR1ALDH1A1SMN1; SMN2MAPTHPGD

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 TACR1 474/4885KMT2A 3820/4885TSHR 92/4885

“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.