SCHEMBL29299560

SCHEMBL29299560

O=C(O)c1cccc(CN2CCOCCOCCN(Cc3ccccn3)CCOCCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.56
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 8/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.49
GFER P55789 1/20 0.49
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL31679393 0.91 CXCR4 (0.67) CXCR4KDM4EALDH1A1MAPTTSHR
SCHEMBL29892433 0.91 CXCR4 (0.67) CXCR4KDM4EALDH1A1MAPTTSHR
SCHEMBL22009968 0.91 CXCR4 (0.67) CXCR4KDM4EALDH1A1MAPTTSHR
SCHEMBL16705675 0.90 KDM4E (0.61) KDM4EALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL26908105 0.90 CXCR4 (0.69) CXCR4KDM4EALDH1A1MAPTTSHR
SCHEMBL31679380 0.90 CXCR4 (0.69) CXCR4KDM4EALDH1A1MAPTTSHR
SCHEMBL465725 0.90 CXCR4 (0.69) CXCR4KDM4EALDH1A1MAPTTSHR
SCHEMBL29978069 0.86 CXCR4 (0.51) CXCR4KDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL23665112 0.85 CXCR4 (0.58) CXCR4KDM4EALDH1A1LMNAMAPT
SCHEMBL28431330 0.84 KDM4E (0.55) KDM4EALDH1A1NPSR1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 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-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R CXCR4 123/4885KDM4E 3543/4885ALDH1A1 3906/4885

“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.