SCHEMBL2955705

SCHEMBL2955705

CCOc1cc(C=O)ccc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
CYP11B1 P15538 9/20 0.51
CYP11B2 P19099 9/20 0.51
CYP19A1 P11511 5/20 0.51
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
TTK P33981 1/20 0.45
ERN1 O75460 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2960690 0.83 ALDH1A1 (0.55) ALDH1A1CYP11B1CYP11B2KDM4EHPGD
SCHEMBL2955584 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDNPSR1GAA
SCHEMBL16445728 0.80 MKNK1 (0.51) ALDH1A1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL3614027 0.78 ERN1 (0.55) ALDH1A1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL3931286 0.78 TTK (0.49) ALDH1A1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL21753339 0.77 TTK (0.51) ALDH1A1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL23646289 0.77 ADRA1D (0.57) ALDH1A1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL3933850 0.77 ERN1 (0.56) ALDH1A1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL29775418 0.77 CYP11B1 (0.57) ALDH1A1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL23326199 0.77 CYP11B1 (0.57) ALDH1A1MKNK1MKNK2CYP11B1CYP11B2

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 3425/4885MKNK1 3012/4885MKNK2 2775/4885

“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.