SCHEMBL2746995

SCHEMBL2746995

CN(CCO)C(=O)C1CCCCC1N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
EPHX1 P07099 1/20 0.32
PDE7A Q13946 1/20 0.32
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2746991 0.83 EPHX1 (0.44) CTSBCTSSCTSKEPHX1POLB
SCHEMBL5541719 0.81 EPHX1 (0.46) CTSBCTSSCTSKEPHX1PDE7A
SCHEMBL15232997 0.77 CTSB (0.46) CTSBCTSSCTSKEPHX1THRB
SCHEMBL4760478 0.77 CTSB (0.46) CTSBCTSSCTSKEPHX1THRB
SCHEMBL5517066 0.77 CHRNB2 (0.33) CTSBCTSSCTSKEPHX1
SCHEMBL1598076 0.74 PDE7A (0.41) EPHX1PDE7APOLBMEN1KMT2A
SCHEMBL4760492 0.74 CTSB (0.42) CTSBCTSSCTSKEPHX1THRB
SCHEMBL20327074 0.71 POLB (0.38) PDE7APOLBMEN1KMT2A
SCHEMBL12527129 0.71 MAPT (0.32) POLB
Trolamine SCHEMBL27880065 0.69 THRB (0.39) THRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CTSB 1025/4885CTSS 745/4885CTSK 550/4885

“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.