SCHEMBL2963992

SCHEMBL2963992

Nc1ccc(C(=O)NC2CCNCC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC1 Q13547 2/20 0.54
HPGDS O60760 2/20 0.51
EGLN1 Q9GZT9 1/20 0.48
KIT P10721 1/20 0.48
SSTR5 P35346 1/20 0.47
KHK P50053 2/20 0.47
HDAC4 P56524 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 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
Tert-Butyl Formate SCHEMBL27861516 0.87 HPGDS (0.47) SMYD3HDAC6HDAC1HPGDSEGLN1
SCHEMBL21490030 0.84 ST14 (0.60) SMYD3HDAC6HDAC1KITST14
SCHEMBL19701274 0.84 ST14 (0.60) SMYD3HDAC6HDAC1KITST14
SCHEMBL2964744 0.83 SMYD3 (0.54) SMYD3HPGDSEGLN1KHK
SCHEMBL17054759 0.83 HDAC6 (0.54) HDAC6HDAC1HPGDSEGLN1KIT
SCHEMBL2960460 0.82 HCAR3 (0.60) SMYD3HDAC6HDAC1HPGDSEGLN1
SCHEMBL2962300 0.81 SMYD3 (0.53) SMYD3HDAC6HPGDSEGLN1SSTR5
SCHEMBL3544572 0.81 SSTR5 (0.56) HDAC6HDAC1HPGDSEGLN1KIT
SCHEMBL13575468 0.80 KHK (0.54) SMYD3HDAC6HDAC1KHKHDAC4
SCHEMBL14190691 0.79 HPGDS (0.62) SMYD3HPGDSEGLN1KHKSMN1; SMN2

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 2731/4885HDAC6 661/4885HDAC1 1170/4885

“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.