SCHEMBL7096059

SCHEMBL7096059

NCC(=O)NCC(O)COc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
ADRB3 P13945 2/20 0.56
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MMP2 P08253 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
DPP4 P27487 1/20 0.51
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL11099777 0.86 MEN1 (0.55) CYP2D6ADRB2ADRB1ADRB3MAPT
SCHEMBL6553912 0.85 CYP2D6 (0.61) CYP2D6ADRB2ADRB1ADRB3MAPT
SCHEMBL6630532 0.83 MAPT (0.64) CYP2D6ADRB2ADRB1ADRB3MAPT
SCHEMBL6630527 0.83 CYP2D6 (0.58) CYP2D6ADRB2ADRB1ADRB3MAPT
SCHEMBL11274869 0.81 CYP2D6 (0.60) CYP2D6ADRB2ADRB1ADRB3MAPT
SCHEMBL14783698 0.79 CYP2D6 (0.54) CYP2D6ADRB2ADRB1ADRB3MAPT
SCHEMBL14507484 0.79 MEN1 (0.63) CYP2D6ADRB2ADRB1ADRB3MAPT
SCHEMBL2159869 0.79 CYP2D6 (0.59) CYP2D6ADRB2ADRB1ADRB3MAPT
SCHEMBL11606524 0.78 MEN1 (0.71) CYP2D6ADRB2ADRB1ADRB3MAPT
SCHEMBL14783136 0.78 CYP2D6 (0.56) CYP2D6ADRB2ADRB1ADRB3MAPT

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-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 CYP2D6 1320/4885ADRB2 3484/4885ADRB1 2440/4885

“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.