SCHEMBL3493429

SCHEMBL3493429

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 2/20 0.42
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
F2R P25116 1/20 0.36

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
SCHEMBL2894546 0.85 PRMT5 (0.40) MAPK1SMN1; SMN2PKMTSHREPHX2
SCHEMBL3854537 0.85 PRMT5 (0.40) MAPK1SMN1; SMN2PKMTSHREPHX2
SCHEMBL17255293 0.83 TSHR (0.49) MAPK1SMN1; SMN2PKMTSHRCYP1A2
SCHEMBL2219304 0.82 RECQL (0.60) MAPK1SMN1; SMN2PKMPOLBRECQL
SCHEMBL2216016 0.82 POLB (0.43) MAPK1SMN1; SMN2PKMTSHREPHX2
Succinic Acid SCHEMBL14839719 0.81 PRMT5 (0.38) MAPK1SMN1; SMN2PKMTSHREPHX2
Succinic Acid SCHEMBL18485329 0.81 PRMT5 (0.38) MAPK1SMN1; SMN2PKMTSHREPHX2
SCHEMBL3492252 0.81 POLB (0.45) MAPK1SMN1; SMN2PKMTSHREPHX2
SCHEMBL3489256 0.79 MAPT (0.36) POLBMAPTLMNA
SCHEMBL3493285 0.77 POLB (0.44) MAPK1SMN1; SMN2PKMTSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 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 (4 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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MAPK1 563/4885SMN1; SMN2 4625/4885PKM 863/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MAPK1 563/4885SMN1; SMN2 4625/4885PKM 863/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MAPK1 563/4885SMN1; SMN2 4625/4885PKM 863/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE MAPK1 563/4885SMN1; SMN2 4625/4885PKM 863/4885

“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.