SCHEMBL2964004

SCHEMBL2964004

Cc1cncc(C(=O)NC2CCNCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 8/20 0.71
SSTR5 P35346 7/20 0.51
HPGDS O60760 1/20 0.51
KHK P50053 1/20 0.48
SSTR1 P30872 1/20 0.47
HRH1 P35367 1/20 0.47
ATM Q13315 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HCAR2 Q8TDS4 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
SCHEMBL21489983 0.83 SMYD3 (1.00) SMYD3SSTR5
SCHEMBL30419625 0.83 SMYD3 (1.00) SMYD3SSTR5
SCHEMBL19701356 0.83 SMYD3 (1.00) SMYD3SSTR5
SCHEMBL30419263 0.82 SMYD3 (0.69) SMYD3SSTR5SSTR1HRH1
SCHEMBL2954123 0.80 SMYD3 (0.51) SMYD3HPGDSKHK
SCHEMBL279972 0.78 NPC1 (0.74) SMYD3KHK
SCHEMBL30419422 0.78 SMYD3 (0.85) SMYD3SSTR5SSTR1HRH1ATM
SCHEMBL21490224 0.78 SMYD3 (1.00) SMYD3
SCHEMBL19710195 0.78 SMYD3 (1.00) SMYD3
SCHEMBL279571 0.77 RAB9A (0.71) SMYD3

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 SMYD3 2731/4885SSTR5 1/4885HPGDS 2883/4885

“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.