SCHEMBL1640776

SCHEMBL1640776

O=C(NCC1CC1)c1cn(C2CCCC2)c(=O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
P2RX7 Q99572 3/20 0.42
IL1B P01584 2/20 0.42
PDE10A Q9Y233 2/20 0.41
RAB9A P51151 1/20 0.41
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40
KMT2A Q03164 3/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLP1R P43220 4/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL1641802 0.80 NPC1 (0.50) NPC1RAB9AKMT2ACNR1CNR2
SCHEMBL1641925 0.79 NPC1 (0.52) NPC1RAB9AKMT2ACNR1CNR2
SCHEMBL1642082 0.79 NPC1 (0.52) NPC1RAB9AKMT2ACNR1CNR2
SCHEMBL1640561 0.77 HRH3 (0.52) P2RX7KMT2ACNR1CNR2ALDH1A1
SCHEMBL1642076 0.76 HRH3 (0.51) P2RX7KMT2AKDM4EALDH1A1HPGD
SCHEMBL1642049 0.76 ALDH1A1 (0.41) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1640448 0.75 ALDH1A1 (0.43) RAB9AKMT2AKDM4EALDH1A1HPGD
SCHEMBL1642486 0.73 EGLN1 (0.47) P2RX7IL1BCNR1CNR2KDM4E
SCHEMBL31339568 0.73 CA12 (0.41) RAB9AKMT2AKDM4EALDH1A1HPGD
SCHEMBL1640361 0.72 ALDH1A1 (0.51) KMT2ACNR1CNR2KDM4EALDH1A1

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-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2306828-A1 PROLYL HYDROXYLASE INHIBITORS Glaxosmithkline LLC (US) 2011-04-13 EP disclosed
WO-2009158315-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO 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-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN2, EGLN3 NPC1 2262/4885P2RX7 2977/4885IL1B 2009/4885

“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.