SCHEMBL3817632

SCHEMBL3817632

CCOC(=O)CC1(C#N)CC2CCC(C1)N2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GRM5 P41594 1/20 0.31
TSHR P16473 3/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL14559651 0.82 EPHX2 (0.38) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL6377834 0.78 ALDH1A1 (0.36) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL6377829 0.78 ALDH1A1 (0.36) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL9209379 0.76 GAA (0.41) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL6425669 0.74 ALDH1A1 (0.36) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL6425668 0.74 ALDH1A1 (0.36) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL6381421 0.73 ALDH1A1 (0.43) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL6381415 0.73 ALDH1A1 (0.43) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL1978033 0.72 ALDH1A1 (0.39) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL3910882 0.72 ALDH1A1 (0.41) KMT2AL3MBTL1GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937267-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
EP-1937230-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
US-20080275079-A1 3-Endo)-3-[2,2-Bis-(3-hydroxy-phenyl)-ethenyl]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide; chronic obstructive lung disease, chronic bronchitis, asthma, chronic respiratory obstruction, pulmonary fibrosis, pulmonary emphysema, allergic rhinitis GLAXO GROUP LIMITED 2008-11-06 US disclosed
US-20080234315-A1 M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-09-25 US disclosed
EP-1937230-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
EP-1937267-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007016650-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2007016639-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-08 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 (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-20080234315-A1 M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRM1 KMT2A 1936/4885L3MBTL1 1642/4885GAA 4767/4885
US-20080275079-A1 3-Endo)-3-[2,2-Bis-(3-hydroxy-phenyl)-ethenyl]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide; chronic obstructive lung disease, chronic bronchitis, asthma, chronic respiratory obstruction, pulmonary fibrosis, pulmonary emphysema, allergic rhinitis CHRM3, EDNRB, BDKRB2 KMT2A 2752/4885L3MBTL1 3600/4885GAA 3867/4885

“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.