SCHEMBL1363225

SCHEMBL1363225

COc1cc(CN(C(=O)O)C(C)(C)C)cc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B2 P37059 4/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
POLB P06746 1/20 0.37
FFAR1 O14842 3/20 0.37
PPARD Q03181 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36

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
SCHEMBL1363398 0.88 MEN1 (0.39) TSHRLMNANPSR1ALDH1A1HTT
SCHEMBL1363777 0.87 GRM2 (0.37) TSHRLMNANPSR1ALDH1A1HTT
SCHEMBL1364983 0.84 TSHR (0.46) TSHRLMNANPSR1ALDH1A1HTT
SCHEMBL1362409 0.82 LMNA (0.41) TSHRLMNANPSR1ALDH1A1HTT
SCHEMBL4093359 0.82 MAPT (0.42) TSHRLMNAALDH1A1HTTKDM4E
SCHEMBL1364563 0.80 LMNA (0.38) TSHRLMNANPSR1ALDH1A1HTT
SCHEMBL3428477 0.80 CYP1A1 (0.42) HSD17B2PLGPLAUPLATFFAR1
SCHEMBL1362144 0.78 CD274 (0.41) LMNAFFAR1MEN1KMT2A
SCHEMBL1362264 0.77 FFAR1 (0.34) TSHRLMNANPSR1ALDH1A1HTT
SCHEMBL12053409 0.77 DYRK1A (0.42) TSHRLMNAALDH1A1HTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A TSHR 2470/4885LMNA 4824/4885NPSR1 926/4885

“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.