SCHEMBL6629117

SCHEMBL6629117

O=C(NCCc1ccccc1OCCN1CCOCC1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.59
DRD4 P21917 2/20 0.59
DRD5 P21918 2/20 0.59
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 3/20 0.49
ABCB1 P08183 1/20 0.48
AURKA O14965 1/20 0.47
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
HRH1 P35367 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD3 P35462 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6044214 0.83 MEN1 (0.57) POLBALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6690875 0.82 DRD1 (0.65) DRD1DRD4DRD5POLBKDM4E
SCHEMBL30899745 0.81 MEN1 (0.58) POLBALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1463825 0.80 POLB (0.61) POLBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6630507 0.80 LMNA (0.56) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL8703127 0.77 DRD1 (0.74) DRD1DRD4DRD5POLBKDM4E
SCHEMBL23291207 0.77 MAPT (0.61) KDM4EAURKAFLT1KDRFLT3
Hydrochloric Acid SCHEMBL8703895 0.76 DRD1 (0.73) DRD1DRD4DRD5POLBKDM4E
SCHEMBL6689247 0.76 DRD1 (0.68) DRD1DRD4DRD5POLBKDM4E
SCHEMBL11508339 0.76 DRD1 (0.68) DRD1DRD4DRD5POLBKDM4E

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
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL DRD1 3691/4885DRD4 2951/4885DRD5 2435/4885

“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.