SCHEMBL2242155

SCHEMBL2242155

CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(-c3ccccc3)c2)[C@H](NC(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.51
USP30 Q70CQ3 7/20 0.49
TACR1 P25103 1/20 0.47
YAP1 P46937 2/20 0.45
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
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GPR119 Q8TDV5 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 1.00 PDE4B (0.51) PDE4BUSP30TACR1YAP1MAPT
SCHEMBL2240609 0.90 PDE4B (0.51) PDE4BUSP30TACR1YAP1MAPT
SCHEMBL2816531 0.88 EPHX1 (0.46) PDE4BTACR1HSD11B1ALDH1A1
SCHEMBL2240103 0.88 EPHX1 (0.46) PDE4BTACR1HSD11B1ALDH1A1
SCHEMBL19893582 0.84 PDE4B (0.52) PDE4BUSP30TACR1HSD11B1L3MBTL1
SCHEMBL19893581 0.84 PDE4B (0.52) PDE4BUSP30TACR1HSD11B1L3MBTL1
SCHEMBL19893583 0.84 PDE4B (0.52) PDE4BUSP30TACR1HSD11B1L3MBTL1
SCHEMBL6356119 0.84 HSD11B1 (0.49) PDE4BUSP30MAPTMAPK1NPSR1
SCHEMBL30889444 0.83 PDE4B (0.58) PDE4BTACR1MAPTL3MBTL1KMT2A
SCHEMBL29492127 0.83 HSD11B1 (0.50) PDE4BUSP30MAPTMAPK1NPSR1

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 1236/4885USP30 3836/4885TACR1 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.