SCHEMBL2240609

SCHEMBL2240609

CC(C)(C)OC(=O)N1CC[C@H](c2cccc(OCc3ccccc3)c2)[C@@H](NC(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.51
YAP1 P46937 3/20 0.48
TACR1 P25103 1/20 0.46
PRMT5 O14744 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
USP30 Q70CQ3 1/20 0.44
BCL9 O00512 2/20 0.43
CTNNB1 P35222 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NTSR1 P30989 1/20 0.43
HSD11B1 P28845 1/20 0.43
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2241389 0.90 PDE4B (0.51) PDE4BYAP1TACR1L3MBTL1JAK2
SCHEMBL2242155 0.90 PDE4B (0.51) PDE4BYAP1TACR1L3MBTL1JAK2
SCHEMBL2243513 0.88 KCNH2 (0.47) PDE4BTACR1HSD11B1KCNH2ALDH1A1
SCHEMBL27801739 0.85 KCNH2 (0.43) PDE4BTACR1BCL9CTNNB1KCNH2
SCHEMBL2239880 0.84 TACR1 (0.54) PDE4BYAP1TACR1PRMT5JAK2
SCHEMBL19893583 0.84 PDE4B (0.52) PDE4BTACR1L3MBTL1JAK2JAK1
SCHEMBL19893582 0.84 PDE4B (0.52) PDE4BTACR1L3MBTL1JAK2JAK1
SCHEMBL19893581 0.84 PDE4B (0.52) PDE4BTACR1L3MBTL1JAK2JAK1
SCHEMBL30889444 0.83 PDE4B (0.58) PDE4BTACR1L3MBTL1BCL9CTNNB1
SCHEMBL29492127 0.82 HSD11B1 (0.50) PDE4BL3MBTL1JAK2JAK1USP30

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 PDE4B 1236/4885YAP1 595/4885TACR1 157/4885

“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.