SCHEMBL2216016

SCHEMBL2216016

CC(C)(C)N[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17255293 0.82 TSHR (0.49) POLBRECQLHPGDPKMMAPK1
SCHEMBL3493429 0.82 MAPK1 (0.43) POLBRECQLHPGDPKMMAPK1
SCHEMBL3492252 0.80 POLB (0.45) POLBRECQLHPGDPKMMAPK1
SCHEMBL3854537 0.79 PRMT5 (0.40) POLBRECQLHPGDPKMMAPK1
SCHEMBL2894546 0.79 PRMT5 (0.40) POLBRECQLHPGDPKMMAPK1
SCHEMBL3493285 0.76 POLB (0.44) POLBRECQLHPGDPKMMAPK1
SCHEMBL2221282 0.76 TSHR (0.41) POLBRECQLHPGDPKMMAPK1
SCHEMBL15190565 0.75 LMNA (0.35) SMN1; SMN2ALDH1A1LMNA
Succinic Acid SCHEMBL14839719 0.75 PRMT5 (0.38) POLBRECQLHPGDPKMMAPK1
Succinic Acid SCHEMBL18485329 0.75 PRMT5 (0.38) POLBRECQLHPGDPKMMAPK1

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-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 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-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE POLB 3030/4885RECQL 1053/4885HPGD 25/4885

“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.