SCHEMBL6080599

SCHEMBL6080599

Cc1c(C(=O)O)nc2c(OCc3ccccc3)cccc2c1CCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
PTGER1 P34995 2/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
EDNRA P25101 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
FOLH1 Q04609 1/20 0.41
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL6079714 0.88 ADORA1 (0.43) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6079758 0.88 ADORA1 (0.43) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080885 0.83 MRGPRX4 (0.41) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080351 0.82 MAPT (0.49) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080223 0.82 NPSR1 (0.41) MAPTL3MBTL1MAPK1HTR1AADRA1D
SCHEMBL6080005 0.81 MAPT (0.48) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6590566 0.78 MRGPRX4 (0.46) ADORA1ADORA3ADORA2APTGER1MRGPRX4
SCHEMBL6080232 0.77 PTGER1 (0.43) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080081 0.75 MAPT (0.42) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080272 0.75 PTGER1 (0.40) ADORA1ADORA3ADORA2APTGER1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL ADORA1 1161/4885ADORA3 1328/4885ADORA2A 1442/4885

“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.