SCHEMBL4409517

SCHEMBL4409517

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.53
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.46
TSHR P16473 1/20 0.45
CNR1 P21554 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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 0.85 CNR2 (0.55) CNR2ALDH1A1HSD17B10CNR1
SCHEMBL4409407 0.79 CNR2 (0.80) CNR2CNR1
SCHEMBL22184950 0.79 CNR2 (0.52) CNR2ALDH1A1HSD17B10KDM4ETSHR
SCHEMBL4418073 0.77 CNR2 (0.44) CNR2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL4902666 0.76 CNR2 (0.50) CNR2CNR1MAPT
SCHEMBL4417643 0.75 CNR2 (0.70) CNR2ALDH1A1CNR1
SCHEMBL4407744 0.75 CNR2 (0.67) CNR2CNR1
SCHEMBL4417683 0.70 CNR2 (0.89) CNR2CNR1
SCHEMBL22184948 0.70 ALDH1A1 (0.44) CNR2ALDH1A1HSD17B10KDM4ETSHR
SCHEMBL22185224 0.70 ALDH1A1 (0.44) CNR2ALDH1A1HSD17B10KDM4ETSHR

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 9 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-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 (2 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 2/4885ALDH1A1 1051/4885HSD17B10 3723/4885
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof CNR2, CNR1, OPRL1 CNR2 1/4885ALDH1A1 2343/4885HSD17B10 3247/4885

“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.