SCHEMBL3072810

SCHEMBL3072810

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
TACR1 P25103 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 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
SCHEMBL3073450 1.00 NPSR1 (0.43) NPSR1PKMTACR1L3MBTL1PSEN1
SCHEMBL581342 1.00 NPSR1 (0.43) NPSR1PKMTACR1L3MBTL1PSEN1
SCHEMBL3080016 0.90 PKM (0.42) NPSR1PKML3MBTL1MEN1KMT2A
SCHEMBL581685 0.90 PKM (0.42) NPSR1PKML3MBTL1MEN1KMT2A
SCHEMBL3073261 0.90 PKM (0.42) NPSR1PKML3MBTL1MEN1KMT2A
SCHEMBL582086 0.90 PPARG (0.40) MEN1KMT2AHTTNPC1ALDH1A1
SCHEMBL3069164 0.90 MAPT (0.45) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL582142 0.90 MAPT (0.45) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL3073152 0.90 MAPT (0.45) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL3075705 0.90 PPARG (0.40) MEN1KMT2AHTTNPC1ALDH1A1

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 2 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
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 NPSR1 239/4885PKM 4789/4885TACR1 474/4885

“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.