SCHEMBL2902432

SCHEMBL2902432

CCOC(=O)c1cnn(C)c1[C@@H]1C[C@H](NC(=O)OCc2ccccc2)CN(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
ROCK2 O75116 1/20 0.41
CTSL P07711 4/20 0.39
CTSK P43235 4/20 0.39
CTSB P07858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
DPP4 P27487 4/20 0.39
DPP7 Q9UHL4 4/20 0.39
KCNH2 Q12809 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TSHR P16473 1/20 0.38
EPHX1 P07099 1/20 0.38
CTSS P25774 2/20 0.38

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
SCHEMBL12991744 0.90 LMNA (0.46) HSD11B1ALDH1A1GAA
SCHEMBL2901150 0.80 PDE4B (0.37) ALDH1A1GAA
SCHEMBL2902732 0.77 LMNA (0.41) ALDH1A1GAATSHR
SCHEMBL2902664 0.74 ALDH1A1 (0.49) HSD11B1CTSLCTSKCTSBALDH1A1
SCHEMBL25263312 0.73 ALDH1A1 (0.54) HSD11B1CTSLCTSKCTSBALDH1A1
SCHEMBL30687256 0.73 ALDH1A1 (0.64) HSD11B1CTSLCTSKCTSBALDH1A1
SCHEMBL26986498 0.73 ALDH1A1 (0.64) HSD11B1CTSLCTSKCTSBALDH1A1
SCHEMBL25270147 0.73 ALDH1A1 (0.54) HSD11B1CTSLCTSKCTSBALDH1A1
SCHEMBL2902121 0.73 ALDH1A1 (0.64) HSD11B1CTSLCTSKCTSBALDH1A1
SCHEMBL11889605 0.72 ALDH1A1 (0.56) HSD11B1CTSLCTSKCTSBALDH1A1

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
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT HSD11B1 269/4885ROCK2 881/4885CTSL 227/4885

“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.