SCHEMBL4418073

SCHEMBL4418073

CCOc1c(OC)ccc2cc(CN3CCOCC3)c(=O)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 4/20 0.42
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL4409620 0.79 CNR2 (0.55) CNR2ALDH1A1HSD17B10
SCHEMBL4409517 0.77 CNR2 (0.53) CNR2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL22184950 0.73 CNR2 (0.52) CNR2ALDH1A1HSD17B10KDM4E
SCHEMBL4409407 0.71 CNR2 (0.80) CNR2
SCHEMBL4902666 0.70 CNR2 (0.50) CNR2MAPTGAA
SCHEMBL4417643 0.69 CNR2 (0.70) CNR2ALDH1A1
SCHEMBL4407744 0.69 CNR2 (0.67) CNR2
SCHEMBL13726528 0.66 MEN1 (0.72) ALDH1A1HSD17B10LMNAHTTSMN1; SMN2
SCHEMBL11225310 0.66 CHRM2 (0.63) ALDH1A1LMNAKDM4ETP53HTT
SCHEMBL348999 0.65 MAPT (0.64) ALDH1A1LMNAKDM4ERXFP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof JAPAN TOBACCO, INC (JP) 2003-10-09 US claimed
US-6509352-B1 Selectively act on cannabinoid receptors, particularly on peripheral type cannabinoid receptors, and have fewer side effects on the central nervous system, having great immunosuppressive action, anti-inflammatory action or JAPAN TOBACCO INC. (JP) 2003-01-21 US claimed
EP-1142877-A1 2-OXOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2001-10-10 EP claimed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6806276-B2 SIDE EFFECT REDUCTION ON CENTRAL NERVOUS SYSTEM; IMMUNOSUPPRESSANTS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS JAPAN TOBACCO INC. (JP) 2004-10-19 US disclosed
US-20030232855-A1 Therapeutic agent for allergic disease JAPAN TOBACCO INC. 2003-12-18 US disclosed
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof JAPAN TOBACCO, INC (JP) 2003-10-09 US disclosed
US-6509352-B1 Selectively act on cannabinoid receptors, particularly on peripheral type cannabinoid receptors, and have fewer side effects on the central nervous system, having great immunosuppressive action, anti-inflammatory action or JAPAN TOBACCO INC. (JP) 2003-01-21 US disclosed
EP-1142877-A1 2-OXOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2001-10-10 EP 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 (4 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-20030232855-A1 Therapeutic agent for allergic disease CNR1, CNR2, HRH4 CNR2 2/4885PARP1 1498/4885ALDH1A1 1051/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CNR2 2/4885PARP1 4258/4885ALDH1A1 4118/4885
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof CNR2, CNR1, OPRL1 CNR2 1/4885PARP1 2163/4885ALDH1A1 2343/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885PARP1 3980/4885ALDH1A1 3580/4885

“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.