SCHEMBL6632659

SCHEMBL6632659

CNC1[CH]Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
HTR2A P28223 5/20 0.40
HRH1 P35367 4/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SLC6A3 Q01959 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6634791 0.77 MTNR1A (0.46) HDAC4HDAC7HDAC5
SCHEMBL6631178 0.76 MAOA (0.38) PDPK1HDAC4HDAC7HDAC5
SCHEMBL528662 0.71 HTR2A (0.38) HTR2AHRH1HTR2CHDAC4HDAC7
SCHEMBL6763552 0.71 HTR2A (0.38) HTR2AHRH1HTR2CHDAC4HDAC7
SCHEMBL3078945 0.71 HTR2A (0.38) HTR2AHRH1HTR2CHDAC4HDAC7
SCHEMBL5751646 0.71 HTR2A (0.38) PDPK1HTR2AHRH1HTR2CHTR2B
SCHEMBL6630655 0.70 EPHX2 (0.51)
SCHEMBL21962333 0.67 CA1 (0.44) CYP2D6
SCHEMBL6629432 0.67 HTR2A (0.48) HTR2AHRH1HTR2CSIGMAR1
SCHEMBL3426562 0.67 HTR2A (0.38) HTR2AHRH1HTR2CHDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1896078-A Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-17 CN disclosed
CN-1264846-C Bicyclic pyrrolyl amides as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2006-07-19 CN disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
CN-1473163-A Bicyclic pyrrolyl amides as glycogen phosphorylase inhibitors 2004-02-04 CN 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 PDPK1 989/4885HTR2A 3403/4885HRH1 3778/4885

“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.