SCHEMBL2963930

SCHEMBL2963930

COc1cc(OCC#N)cc(C(=O)NC2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.52
HPGDS O60760 1/20 0.52
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MCHR1 Q99705 11/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
HTR4 Q13639 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL4591463 0.83 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MCHR1POLB
Hydrochloric Acid SCHEMBL2960842 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDSATM
SCHEMBL2960509 0.82 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDSATM
SCHEMBL2960419 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDSATM
SCHEMBL4591995 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDSATM
SCHEMBL4590657 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1HPGDSATM
SCHEMBL4590660 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1HPGDSATM
SCHEMBL2957973 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1HPGDSATM
Hydrochloric Acid SCHEMBL2960416 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSATM
Hydrochloric Acid SCHEMBL2965004 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSATM

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 MEN1 528/4885KMT2A 3271/4885ALDH1A1 3425/4885

“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.