SCHEMBL2894546

SCHEMBL2894546

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CTSS P25774 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.36
USP2 O75604 1/20 0.35
ATM Q13315 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL3854537 1.00 PRMT5 (0.40) PRMT5WDR77CTSSSMN1; SMN2PKM
Succinic Acid SCHEMBL18485329 0.95 PRMT5 (0.38) PRMT5WDR77CTSSSMN1; SMN2PKM
Succinic Acid SCHEMBL14839719 0.95 PRMT5 (0.38) PRMT5WDR77CTSSSMN1; SMN2PKM
SCHEMBL3492252 0.86 POLB (0.45) PRMT5WDR77SMN1; SMN2PKMPOLB
SCHEMBL3493429 0.85 MAPK1 (0.43) PRMT5WDR77SMN1; SMN2PKMPOLB
SCHEMBL1422722 0.83 RECQL (0.56) PRMT5WDR77SMN1; SMN2PKMPOLB
SCHEMBL14839721 0.83 PRMT5 (0.37) PRMT5WDR77CTSSSMN1; SMN2PKM
SCHEMBL3493285 0.82 POLB (0.44) PRMT5WDR77SMN1; SMN2PKMPOLB
SCHEMBL29188207 0.81 POLB (0.36) POLBLMNAALDH1A1KMT2ACYP1A2
SCHEMBL2900509 0.81 POLB (0.36) POLBLMNAALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297114-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-06-06 EP disclosed
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
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP 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-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 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
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 (5 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 PRMT5 526/4885WDR77 2198/4885CTSS 1131/4885
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT PRMT5 283/4885WDR77 2582/4885CTSS 360/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE PRMT5 526/4885WDR77 2198/4885CTSS 1131/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE PRMT5 526/4885WDR77 2198/4885CTSS 1131/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE PRMT5 526/4885WDR77 2198/4885CTSS 1131/4885

“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.