SCHEMBL2962020

SCHEMBL2962020

CCOc1cc(C=O)cc(OCC)c1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.43
TACR2 P21452 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.37
FDPS P14324 1/20 0.37
PDE4D Q08499 2/20 0.35

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
SCHEMBL16055692 0.95 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1TACR2LMNA
SCHEMBL16056078 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1TACR2LMNA
SCHEMBL16616028 0.87 POLB (0.43) ALDH1A1KDM4EL3MBTL1TACR2LMNA
SCHEMBL16055545 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1TACR2LMNA
SCHEMBL16056140 0.80 KDM4E (0.55) ALDH1A1KDM4EL3MBTL1TACR2LMNA
SCHEMBL17535592 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1TACR2LMNA
SCHEMBL2963966 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1TACR2HPGD
SCHEMBL24488847 0.78 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1POLBHPGD
SCHEMBL1121310 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1TACR2LMNA
SCHEMBL24346128 0.78 FDPS (0.36) ALDH1A1KDM4ELMNAPOLBHPGD

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-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
CN-101189226-A Piperidin-4-yl-amide derivatives and their use as SST receptor subtype 5 antagonists HOFFMANN LA ROCHE (CH) 2008-05-28 CN 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 3425/4885KDM4E 3383/4885L3MBTL1 4455/4885

“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.