SCHEMBL2643572

SCHEMBL2643572

CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
ALDH1A1 P00352 8/20 0.53
MAPT P10636 8/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
PAX8 Q06710 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2644838 0.92 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2643916 0.91 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2643643 0.91 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3421633 0.88 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2643615 0.88 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2661333 0.86 ADORA1 (0.53) MAPTKDM4E
SCHEMBL4693140 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14408985 0.83 GCGR (0.58) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2644393 0.83 L3MBTL1 (0.67) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL13739786 0.83 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US claimed
EP-1620425-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP claimed
WO-2004092156-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO claimed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 US claimed
US-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists REMD Biotherapeutics, Inc 2017-05-25 US disclosed
EP-1620425-B1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-12-24 EP disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
EP-1620425-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP disclosed
WO-2004092156-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO disclosed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 US disclosed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 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 (2 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-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists GLP1R, GCGR, GPR119 MEN1 1036/4885KMT2A 3567/4885ALDH1A1 1214/4885
US-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists GLP1R, GCGR, GIPR MEN1 4200/4885KMT2A 2219/4885ALDH1A1 3069/4885

“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.