SCHEMBL3492252

SCHEMBL3492252

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
EPHX2 P34913 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 0.86 PRMT5 (0.40) POLBHPGDPKMHTTLMNA
SCHEMBL3854537 0.86 PRMT5 (0.40) POLBHPGDPKMHTTLMNA
SCHEMBL2217711 0.83 RECQL (0.57) POLBHPGDPKMHTTLMNA
SCHEMBL3493285 0.83 POLB (0.44) POLBHPGDPKMHTTLMNA
Succinic Acid SCHEMBL14839719 0.82 PRMT5 (0.38) POLBHPGDPKMHTTLMNA
Succinic Acid SCHEMBL18485329 0.82 PRMT5 (0.38) POLBHPGDPKMHTTLMNA
SCHEMBL17255293 0.81 TSHR (0.49) POLBHPGDPKMHTTLMNA
SCHEMBL3493429 0.81 MAPK1 (0.43) POLBHPGDPKMHTTLMNA
SCHEMBL2216016 0.80 POLB (0.43) POLBHPGDPKMHTTLMNA
SCHEMBL2217714 0.77 CHRM1 (0.38) POLBHPGDPKMHTTLMNA

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 9 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
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.