SCHEMBL582203

SCHEMBL582203

COC(=O)C1CCNC(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.35
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
SLC6A2 P23975 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32
S1PR1 P21453 3/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
PLG P00747 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL581020 0.84 OPRK1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL581126 0.82 MAPT (0.40) LMNACYP3A4RXRARXRBRXRG
SCHEMBL580821 0.82 PLG (0.38) SLC6A2PLG
SCHEMBL580899 0.81 PLG (0.48) SLC6A2PLGALDH1A1
SCHEMBL581990 0.81 CYP3A4 (0.43) CYP3A4KMT2APLG
SCHEMBL581052 0.80 POLB (0.43) SLC6A2MEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL581112 0.80 HTR2A (0.36) SLC6A2MEN1KMT2APLG
SCHEMBL27869774 0.80 FFAR4 (0.39) SLC6A2RXRARXRBRXRGELANE
SCHEMBL27869771 0.79 BACE1 (0.35) LMNAPLG
SCHEMBL581121 0.79 SMN1; SMN2 (0.42) CYP3A4SLC6A2MEN1KMT2ASMN1; SMN2

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 LMNA 3853/4885CYP3A4 21/4885CDK2 2034/4885

“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.