SCHEMBL4409431

SCHEMBL4409431

CCCCCOc1cc(C=CC(=O)NCCN2CCOCC2)ccc1OC

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.80
ALDH1A1 P00352 4/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
HPGD P15428 3/20 0.67
CNR2 P34972 4/20 0.63
PTGS2 P35354 1/20 0.53
LMNA P02545 1/20 0.52
BCHE P06276 6/20 0.52
ACHE P22303 6/20 0.52

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
SCHEMBL4409428 1.00 KDM4E (0.80) KDM4EALDH1A1SMN1; SMN2HPGDCNR2
SCHEMBL4410637 0.82 CYP2C9 (0.72) CNR2
SCHEMBL8077994 0.82 TRPV1 (0.66) KDM4EALDH1A1SMN1; SMN2HPGDCNR2
SCHEMBL8077987 0.82 TRPV1 (0.66) KDM4EALDH1A1SMN1; SMN2HPGDCNR2
SCHEMBL4407881 0.77 CNR2 (0.85) KDM4EALDH1A1HPGDCNR2LMNA
SCHEMBL4409314 0.77 CNR2 (1.00) KDM4EALDH1A1HPGDCNR2LMNA
SCHEMBL4409310 0.77 CNR2 (1.00) KDM4EALDH1A1HPGDCNR2LMNA
SCHEMBL4409527 0.77 CNR2 (0.85) KDM4EALDH1A1HPGDCNR2LMNA
SCHEMBL4409530 0.77 CNR2 (0.85) KDM4EALDH1A1HPGDCNR2LMNA
SCHEMBL4407886 0.77 CNR2 (0.85) KDM4EALDH1A1HPGDCNR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 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
WO-2002047691-A9 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2003-11-20 WO disclosed
WO-2002047691-A1 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2002-06-20 WO disclosed
US-20020077322-A1 Protection of neurons against glutamate-induced damage in glaucoma and other conditions AYOUB GEORGE S (US) 2002-06-20 US disclosed
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 KDM4E 2840/4885ALDH1A1 4118/4885SMN1; SMN2 3763/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 KDM4E 3245/4885ALDH1A1 3580/4885SMN1; SMN2 3366/4885

“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.