SCHEMBL5163554

SCHEMBL5163554

O=C(CC(=O)N1CCCCC1)c1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
CHRM2 P08172 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM4 P08173 1/20 0.41
PRMT3 O60678 3/20 0.40
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
ACKR3 P25106 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ECE2 P0DPD6 1/20 0.40
FAAH O00519 1/20 0.39
CHRM1 P11229 1/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5163142 0.98 P2RX7 (0.49) P2RX7CHRM2CHRM3CHRM4PRMT3
SCHEMBL5158189 0.81 L3MBTL1 (0.53) CTNNB1SMN1; SMN2NPC1MEN1POLB
SCHEMBL5160601 0.79 L3MBTL1 (0.54) CTNNB1SMN1; SMN2NPC1TDP1KMT2A
SCHEMBL5160900 0.78 PLOD2 (0.51) CHRM2CHRM3CHRM4SMN1; SMN2L3MBTL1
SCHEMBL16615297 0.78 L3MBTL1 (0.51) P2RX7SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL5158586 0.76 PLOD2 (0.53) CHRM2CHRM3CHRM4SMN1; SMN2CHRM1
SCHEMBL5158185 0.74 L3MBTL1 (0.47) CTNNB1WNT3ASMN1; SMN2ECE2NPC1
SCHEMBL2293958 0.74 P2RX7 (0.59) P2RX7CTNNB1WNT3AFAAHKMT2A
SCHEMBL3431271 0.73 HPGD (0.51) SMN1; SMN2NPC1MEN1POLBKMT2A
SCHEMBL5308763 0.73 P2RX7 (0.54) P2RX7

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 2943/4885CHRM2 2635/4885CHRM3 1411/4885

“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.