SCHEMBL3911972

SCHEMBL3911972

NCCC1(CCN)CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KEAP1 Q14145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3415310 0.77 MEN1 (0.31) MEN1GAAKMT2AL3MBTL1
SCHEMBL3336864 0.77 USP2 (0.31) SMN1; SMN2
Hydrochloric Acid SCHEMBL7950262 0.74 USP2 (0.30) SMN1; SMN2
SCHEMBL16873391 0.74
SCHEMBL13461228 0.72
SCHEMBL18413765 0.72 KEAP1 (0.38) KEAP1SMN1; SMN2
Hydrochloric Acid SCHEMBL737735 0.72
SCHEMBL158419 0.71 USP2 (0.41) SMN1; SMN2
SCHEMBL20279957 0.70
SCHEMBL17526051 0.70

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-1928833-B1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
EP-1928833-A1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-06-11 EP disclosed
WO-2007039220-A1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-12 WO 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-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor CNR2, CNR1, GPR52 MEN1 3734/4885GAA 4132/4885KMT2A 2300/4885

“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.