SCHEMBL2963966

SCHEMBL2963966

CCOc1cc(C=O)ccc1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
TACR2 P21452 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FDPS P14324 1/20 0.44
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
IGF1R P08069 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE3A Q14432 1/20 0.39
TRIM24 O15164 1/20 0.39
ALDH5A1 P51649 1/20 0.39

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
SCHEMBL23000630 0.94 ALDH1A1 (0.55) ALDH1A1TACR2KDM4EHPGDTDP1
SCHEMBL16954351 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16960817 0.84 ALDH1A1 (0.43) ALDH1A1HPGDMAPTNPSR1KMT2A
SCHEMBL16930197 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL21766900 0.81 CNR2 (0.39) ALDH1A1KDM4EHPGDTDP1FDPS
SCHEMBL16056523 0.80 ALDH1A1 (0.47) ALDH1A1TACR2KDM4EHPGDTDP1
SCHEMBL16055545 0.80 ALDH1A1 (0.45) ALDH1A1TACR2KDM4EHPGDTDP1
SCHEMBL16056140 0.79 KDM4E (0.55) ALDH1A1TACR2KDM4EHPGDL3MBTL1
SCHEMBL2962020 0.79 ALDH1A1 (0.50) ALDH1A1TACR2KDM4EHPGDTDP1
SCHEMBL4944263 0.78 ALDH1A1 (0.58) ALDH1A1TACR2KDM4EHPGDTDP1

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 3425/4885TACR2 40/4885KDM4E 3383/4885

“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.