SCHEMBL3493285

SCHEMBL3493285

O=C(O)N1C[C@@H](NCC2CC2)C[C@@H](C(=O)N2CCOCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
DPP4 P27487 1/20 0.36
RECQL P46063 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
USP2 O75604 1/20 0.35
ADAM10 O14672 1/20 0.35
ERBB2 P04626 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
SCHEMBL3492252 0.83 POLB (0.45) POLBHPGDPKMKMT2AMEN1
SCHEMBL2219353 0.83 RECQL (0.58) POLBHPGDPKMKMT2AMEN1
SCHEMBL3854537 0.82 PRMT5 (0.40) POLBHPGDPKMKMT2AMEN1
SCHEMBL2894546 0.82 PRMT5 (0.40) POLBHPGDPKMKMT2AMEN1
SCHEMBL17255293 0.80 TSHR (0.49) POLBHPGDPKMKMT2AMEN1
Succinic Acid SCHEMBL18485329 0.78 PRMT5 (0.38) POLBHPGDPKMKMT2AMEN1
Succinic Acid SCHEMBL14839719 0.78 PRMT5 (0.38) POLBHPGDPKMKMT2AMEN1
SCHEMBL20220685 0.78 HPGD (0.45) POLBHPGDPKMKMT2AMEN1
SCHEMBL3493429 0.77 MAPK1 (0.43) POLBHPGDPKMKMT2AMEN1
SCHEMBL2216016 0.76 POLB (0.43) POLBHPGDPKMKMT2AMEN1

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 POLB 3511/4885HPGD 25/4885PKM 863/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE POLB 3511/4885HPGD 25/4885PKM 863/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE POLB 3511/4885HPGD 25/4885PKM 863/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE POLB 3511/4885HPGD 25/4885PKM 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.