SCHEMBL5160532

SCHEMBL5160532

O=C(CC(=O)N1CCCC1)c1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ECE2 P0DPD6 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5163295 0.98 HPGD (0.39) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL5162404 0.73 P2RX7 (0.31)
SCHEMBL5160601 0.72 L3MBTL1 (0.54) RAB9AMAPTKMT2ASMN1; SMN2HTT
SCHEMBL5161648 0.72 LMNA (0.37) HPGDRAB9APOLBMAPTECE2
SCHEMBL5162764 0.72 RAB9A (0.40) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL5161650 0.71 ALDH1A1 (0.48) HPGDRAB9APOLBECE2ATM
SCHEMBL10352034 0.71 FEN1 (0.42)
SCHEMBL5162423 0.71 RAB9A (0.42) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL5163142 0.71 P2RX7 (0.49) HPGDECE2SMN1; SMN2TDP1NPC1
SCHEMBL5158189 0.71 L3MBTL1 (0.53) HPGDRAB9APOLBMAPTKMT2A

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 3 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

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 HPGD 673/4885RAB9A 3428/4885POLB 2040/4885

“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.