SCHEMBL2958009

SCHEMBL2958009

COc1cc(CO)cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MCHR1 Q99705 8/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX1 P07099 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47
HDAC4 P56524 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2962791 0.87 ALDH1A1 (0.57) ALDH1A1MCHR1MEN1KMT2AEPHX1
SCHEMBL2955316 0.83 ALDH1A1 (0.53) ALDH1A1MCHR1MEN1KMT2AEPHX1
SCHEMBL2960162 0.83 ALDH1A1 (0.53) ALDH1A1MCHR1MEN1KMT2AEPHX1
SCHEMBL1711950 0.82 ALDH1A1 (0.69) ALDH1A1MCHR1MEN1KMT2ALMNA
SCHEMBL2966126 0.81 POLB (0.54) ALDH1A1MCHR1MEN1KMT2AEPHX1
SCHEMBL28457523 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AEPHX1LMNA
SCHEMBL12065589 0.79 EPHX1 (0.55) ALDH1A1MCHR1MEN1KMT2AEPHX1
SCHEMBL1790758 0.79 EPHX1 (0.55) ALDH1A1MEN1KMT2AEPHX1LMNA
SCHEMBL2953779 0.79 ALDH1A1 (0.53) ALDH1A1MCHR1MEN1KMT2ALMNA
SCHEMBL2953714 0.78 MEN1 (0.58) ALDH1A1MCHR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US disclosed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 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-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 ALDH1A1 3425/4885MCHR1 97/4885MEN1 528/4885

“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.