SCHEMBL4333778

SCHEMBL4333778

CC(C)(C)OC(=O)CN1CCC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
HTR4 Q13639 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CNR1 P21554 1/20 0.34
CTSK P43235 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL4338494 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3PLA2G10PLA2G5
SCHEMBL4342564 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3PLA2G10PLA2G5
SCHEMBL18173577 0.90 ALDH1A1 (0.39) CHRM2CHRM1CHRM3PLA2G10PLA2G5
SCHEMBL8634516 0.90 ALDH1A1 (0.39) CHRM2CHRM1CHRM3PLA2G10PLA2G5
SCHEMBL572705 0.90 CHRM2 (0.41) CHRM2CHRM1CHRM3PLA2G10PLA2G5
SCHEMBL23553687 0.83 PLA2G10 (0.37) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL13092415 0.81 HSD17B10 (0.41) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL2468843 0.81 HSD17B10 (0.41) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL13698802 0.79 SMN1; SMN2 (0.41) PLA2G10PLA2G5WNT1GSK3BDYRK1A
SCHEMBL2471930 0.78 SMN1; SMN2 (0.43) WNT1GSK3BDYRK1AALDH1A1KDM4E

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
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP disclosed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT CHRM2 446/4885CHRM1 642/4885CHRM3 709/4885

“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.