SCHEMBL2648446

SCHEMBL2648446

CCC(C)(C)C1CCc2c(sc(NC(=O)CCc3ccccc3)c2C#N)C1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
NPSR1 Q6W5P4 1/20 0.71
SAE1 Q9UBE0 1/20 0.71
UBA2 Q9UBT2 1/20 0.71
GCGR P47871 2/20 0.64
ALDH1A1 P00352 3/20 0.54
POLB P06746 3/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL1207760 0.84 GCGR (0.54) MAPTNPSR1SAE1UBA2GCGR
SCHEMBL2647883 0.83 GCGR (0.73) MAPTNPSR1SAE1UBA2GCGR
SCHEMBL2649712 0.83 GCGR (0.67) MAPTNPSR1SAE1UBA2GCGR
SCHEMBL1208011 0.82 PTPN5 (0.51) MAPTGCGRALDH1A1POLBHPGD
SCHEMBL2648864 0.81 GCGR (0.74) MAPTNPSR1SAE1UBA2GCGR
SCHEMBL2649274 0.81 GCGR (0.76) MAPTNPSR1SAE1UBA2GCGR
SCHEMBL2649810 0.81 MAPT (0.69) MAPTNPSR1SAE1UBA2GCGR
SCHEMBL2649360 0.78 GCGR (0.72) MAPTNPSR1SAE1UBA2GCGR
SCHEMBL2647850 0.78 GCGR (1.00) MAPTNPSR1SAE1UBA2GCGR
SCHEMBL2648262 0.78 GCGR (0.72) MAPTNPSR1SAE1UBA2GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US claimed
EP-1538903-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS Merck & Co., Inc. (US) 2005-06-15 EP claimed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 WO claimed
US-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US disclosed
EP-1538903-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 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-20060035958-A1 Method of treating diabetes and related conditions GLP1R, GPR119, GCGR MAPT 4230/4885NPSR1 347/4885SAE1 4565/4885

“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.