SCHEMBL5161765

SCHEMBL5161765

CN(C)C(=O)CC(=O)c1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
CTNNB1 P35222 3/20 0.43
WNT3A P56704 3/20 0.43
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL5164163 0.81 P2RX7 (0.42) P2RX7CTNNB1WNT3AHSD17B10KDM4E
SCHEMBL5160651 0.78 ALDH1A1 (0.52) CTNNB1WNT3AKDM4EALDH1A1LMNA
SCHEMBL15096486 0.77 LMNA (0.53) P2RX7CTNNB1WNT3AALDH1A1LMNA
SCHEMBL5160977 0.73 P2RX7 (0.47) P2RX7CTNNB1WNT3AHSD17B10ALDH1A1
SCHEMBL18622307 0.73 P2RX7 (0.47) P2RX7CTNNB1WNT3AHSD17B10KDM4E
SCHEMBL5158464 0.73 P2RX7 (0.47) P2RX7CTNNB1WNT3AALDH1A1LMNA
SCHEMBL1505564 0.73 MGAM (0.50) P2RX7CTNNB1WNT3AHSD17B10KDM4E
SCHEMBL5159948 0.72 P2RX7 (0.61) P2RX7CTNNB1WNT3AHSD17B10KDM4E
SCHEMBL11716877 0.72 P2RX7 (0.45) P2RX7CTNNB1WNT3AKDM4EALDH1A1
SCHEMBL882968 0.72 CTNNB1 (0.50) P2RX7CTNNB1WNT3AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO P2RX7 2943/4885CTNNB1 3075/4885WNT3A 1178/4885

“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.