SCHEMBL7091880

SCHEMBL7091880

NCCc1ccccc1OCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.67
DRD5 P21918 4/20 0.67
DRD4 P21917 3/20 0.67
KDM4E B2RXH2 3/20 0.57
POLB P06746 1/20 0.54
DRD3 P35462 3/20 0.50
HRH1 P35367 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
DRD2 P14416 2/20 0.49
CYP2D6 P10635 1/20 0.49
MAOB P27338 1/20 0.49
KCNH2 Q12809 1/20 0.49
LTA4H P09960 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL110986 0.89 DRD1 (0.71) DRD1DRD5DRD4KDM4EPOLB
SCHEMBL6997049 0.84 DRD1 (0.72) DRD1DRD5DRD4KDM4EPOLB
SCHEMBL6935354 0.83 DRD1 (0.71) DRD1DRD5DRD4KDM4EPOLB
SCHEMBL7123326 0.83 DRD1 (0.71) DRD1DRD5DRD4KDM4EPOLB
SCHEMBL240294 0.83 DRD1 (0.71) DRD1DRD5DRD4KDM4EPOLB
SCHEMBL8703127 0.83 DRD1 (0.74) DRD1DRD5DRD4KDM4EPOLB
Hydrochloric Acid SCHEMBL7114617 0.82 DRD1 (0.69) DRD1DRD5DRD4KDM4EPOLB
Hydrochloric Acid SCHEMBL14966707 0.82 DRD1 (0.69) DRD1DRD5DRD4KDM4EPOLB
SCHEMBL8796222 0.82 KDM4E (0.66) DRD1DRD5DRD4KDM4EDRD3
Hydrochloric Acid SCHEMBL8703895 0.82 DRD1 (0.73) DRD1DRD5DRD4KDM4EPOLB

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 DRD1 3691/4885DRD5 2435/4885DRD4 2951/4885

“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.