SCHEMBL6630183

SCHEMBL6630183

O=C1CCc2ccccc2C[N]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.46
CES1 P23141 1/20 0.43
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CYP1A2 P05177 1/20 0.37
HTR2C P28335 1/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
ANPEP P15144 3/20 0.34
SRD5A1 P18405 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B3 P37058 1/20 0.32

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
SCHEMBL2490656 0.79 CYP1A2 (0.50) CYP2A6CES1CYP1A2MAOAMAOB
SCHEMBL2313991 0.74 NOS3 (0.48) CYP2A6CES1TSHRNPC1NOS3
SCHEMBL33555 0.71
SCHEMBL4465325 0.71 TSHR (0.71) CYP2A6CES1TSHRNPC1MAPK13
SCHEMBL29351986 0.71
SCHEMBL34906 0.71
SCHEMBL467668 0.69 CYP2A6 (0.75) CYP2A6CES1TSHRNPC1MAPK13
SCHEMBL5366327 0.68 MAOB (0.41) TSHRNPC1CYP1A2MAOAMAOB
SCHEMBL56649 0.68 NOS3 (0.52) CYP2A6CES1TSHRNPC1MAPK13
Bromide SCHEMBL917076 0.68

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 CYP2A6 1833/4885CES1 359/4885TSHR 1190/4885

“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.