SCHEMBL2964744

SCHEMBL2964744

O=C(NC1CCNCC1)c1ccc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.54
ALDH1A1 P00352 1/20 0.51
HPGDS O60760 2/20 0.51
EGLN1 Q9GZT9 1/20 0.48
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
KHK P50053 1/20 0.47

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
SCHEMBL1116580 0.90 ALDH1A1 (0.56) ALDH1A1
SCHEMBL3411736 0.87 ALDH1A1 (0.57) ALDH1A1
SCHEMBL3244479 0.87 ALDH1A1 (0.57) ALDH1A1
SCHEMBL1969968 0.85 GRM5 (0.57) ALDH1A1
SCHEMBL2963992 0.83 SMYD3 (0.54) SMYD3HPGDSEGLN1KHK
SCHEMBL2960460 0.82 HCAR3 (0.60) SMYD3ALDH1A1HPGDSEGLN1KHK
SCHEMBL31247744 0.81 ALDH1A1 (0.51) ALDH1A1
SCHEMBL2962300 0.81 SMYD3 (0.53) SMYD3ALDH1A1HPGDSEGLN1KHK
SCHEMBL6824522 0.80 MEN1 (0.56) SMYD3
Hydrochloric Acid SCHEMBL7527565 0.79 MEN1 (0.55) 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 2731/4885ALDH1A1 3425/4885HPGDS 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.