SCHEMBL581880

SCHEMBL581880

COC(=O)N1CCC(C(=O)O)CC1CC(C)(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CACNA1G O43497 1/20 0.37
HTT P42858 1/20 0.36
SLC6A1 P30531 3/20 0.36
NPY2R P49146 1/20 0.36
STS P08842 1/20 0.36
SLC6A11 P48066 1/20 0.36
RIPK1 Q13546 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL581678 0.85 PKM (0.36) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL581349 0.85 PKM (0.36) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL581350 0.85 PKM (0.36) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL581806 0.85 BRD4 (0.38) NPY2RRIPK1PSEN1PSEN2APH1B
SCHEMBL581911 0.82 LMNA (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL580852 0.81 PSEN1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL581874 0.79 LMNA (0.34) NPY2RRIPK1
SCHEMBL581537 0.79 POLB (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL581238 0.78 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
Fluorobenzene SCHEMBL27869775 0.78 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 NPC1 497/4885RAB9A 3760/4885SMN1; SMN2 2619/4885

“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.