SCHEMBL1328808

SCHEMBL1328808

CCN(CCN)C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.50
PAX8 Q06710 1/20 0.50
ALDH1A1 P00352 7/20 0.49
LMNA P02545 1/20 0.45
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
TSHR P16473 2/20 0.43
NR4A1 P22736 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41

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
SCHEMBL5557184 0.91 CCR6 (0.58) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL10232646 0.89 CCR6 (0.57) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL20340950 0.88 CCR6 (0.50) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL18594775 0.88 CCR6 (0.52) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL16665613 0.87 ALDH1A1 (0.58) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL554131 0.86 CCR6 (0.55) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL7366351 0.85 CCR6 (0.53) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL9942494 0.85 CCR6 (0.57) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL15275367 0.85 CCR6 (0.45) CCR6PAX8ALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL15266733 0.84 CCR6 (0.44) CCR6PAX8ALDH1A1LMNAMAPK1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349241-B1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-06-19 EP disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9534014-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2017-01-03 US disclosed
US-9534014-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2017-01-03 US disclosed
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof 3I, LP 2015-10-22 US disclosed
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof 3I, LP 2015-10-22 US disclosed
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof 3I, LP 2015-10-22 US disclosed
US-9040032-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2015-05-26 US disclosed
WO-2011133150-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133149-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133150-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133179-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE HYDROMORPHONE PRODRUG PHARMACOFORE, INC (US) 2011-10-27 WO disclosed
WO-2011133151-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
EP-2349241-A1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS Pharmacofore, Inc. (US) 2011-08-03 EP disclosed
WO-2010045599-A1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS PHARMACOFORE, INC. (US) 2010-04-22 WO disclosed
EP-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 EP disclosed
US-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 US disclosed
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 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 (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-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof ACHE, OPRM1, DNPEP CCR6 2634/4885PAX8 4061/4885ALDH1A1 470/4885

“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.