SCHEMBL2953779

SCHEMBL2953779

COc1cc(CO)cc(C(=O)NC2CCN(C(=O)c3cc(OC(C)C)cc(OC(C)C)c3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MCHR1 Q99705 12/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 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
SCHEMBL2953829 0.83 MCHR1 (0.71) ALDH1A1MCHR1LMNAPOLBHTT
SCHEMBL2958009 0.79 ALDH1A1 (0.53) ALDH1A1MCHR1KMT2AMEN1LMNA
SCHEMBL2955372 0.78 MCHR1 (0.65) ALDH1A1MCHR1LMNAPOLBHTT
SCHEMBL2957601 0.78 MCHR1 (0.68) ALDH1A1MCHR1LMNAPOLBHTT
SCHEMBL2958369 0.76 MCHR1 (0.59) ALDH1A1MCHR1LMNAPOLBHTT
SCHEMBL2953714 0.75 MEN1 (0.58) ALDH1A1MCHR1KMT2AMEN1LMNA
SCHEMBL2960098 0.74 MCHR1 (0.61) ALDH1A1MCHR1LMNAPOLBHTT
SCHEMBL2962718 0.74 MCHR1 (0.59) ALDH1A1MCHR1LMNAPOLBHTT
SCHEMBL2961872 0.73 MCHR1 (0.65) MCHR1LMNAHTT
SCHEMBL2470064 0.71 MEN1 (0.84) ALDH1A1MCHR1KMT2AMEN1LMNA

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 97/4885KMT2A 3271/4885

“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.