SCHEMBL2946896

SCHEMBL2946896

COC(=O)C1CCC(CN(C)C(C)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
POLB P06746 1/20 0.33
NPY5R Q15761 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
PTGIR P43119 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
SCHEMBL2946894 1.00 TP53 (0.38) TP53ALDH1A1GAASMN1; SMN2PKM
SCHEMBL2945650 0.84 ALDH1A1 (0.43) TP53ALDH1A1GAASMN1; SMN2PKM
SCHEMBL2945647 0.84 ALDH1A1 (0.43) TP53ALDH1A1GAASMN1; SMN2PKM
SCHEMBL12164426 0.83
SCHEMBL2942917 0.80 PLG (0.48) ALDH1A1PKMTSHRTAS2R14NPY5R
SCHEMBL2942919 0.80 PLG (0.48) ALDH1A1PKMTSHRTAS2R14NPY5R
SCHEMBL8555619 0.80 KMT2A (0.38) TP53ALDH1A1GAASMN1; SMN2PKM
SCHEMBL9638805 0.80 KMT2A (0.38) TP53ALDH1A1GAASMN1; SMN2PKM
SCHEMBL13255698 0.79 GAA (0.40) TP53ALDH1A1GAASMN1; SMN2PKM
SCHEMBL24131653 0.77 TP53 (0.41) TP53ALDH1A1GAASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-06-22 US disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 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 (3 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-20050282808-A1 Benzofuran derivative F12, F2, F11 TP53 4650/4885ALDH1A1 683/4885GAA 3882/4885
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same KCNJ2, KCNN2, KCNH2 TP53 4376/4885ALDH1A1 2470/4885GAA 3995/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 TP53 4644/4885ALDH1A1 693/4885GAA 3844/4885

“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.