SCHEMBL5100758

SCHEMBL5100758

CC(C)(C)C(CCN)OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
LMNA P02545 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL15968120 0.88 CPB2 (0.37) LMNACHRM2CHRM4CHRM5CHRM1
Trifluoroacetic Acid SCHEMBL16394222 0.88 GABRR1 (0.32) GABRR1LMNAMAPT
SCHEMBL28712321 0.88 LMNA (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL15968437 0.86 CPB2 (0.40) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL17023644 0.83 GABRR1 (0.40) GABRR1GABBR2GABBR1
SCHEMBL27205315 0.83 LMNA (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29652036 0.83 LMNA (0.42) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL445644 0.83 LMNA (0.38) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL1148559 0.82 LMNA (0.34) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29029804 0.80 CA2 (0.47) LMNATSHRHSD17B10

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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
EP-1527070-B1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS MERCK SERONO SA (CH) 2013-01-09 EP disclosed
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
EP-1856048-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2007-11-21 EP disclosed
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
WO-2006098999-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
WO-2006099091-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
EP-1668004-A1 BENZOXAZOLE ACETONITRILES Applied Research Systems ARS Holding N.V. (AN) 2006-06-14 EP disclosed
EP-1527070-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2005-05-04 EP disclosed
WO-2005026159-A1 BENZOXAZOLE ACETONITRILES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO disclosed
WO-2003106455-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-12-24 WO 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 (3 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-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators PRKACA, CSNK1A1, PRKACG GABRR1 1352/4885LMNA 2319/4885CHRM2 1465/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 GABRR1 1433/4885LMNA 1148/4885CHRM2 3119/4885
US-20070185104-A1 Benzoxazole acetonitriles PKD1, PC, GPR119 GABRR1 1616/4885LMNA 629/4885CHRM2 2274/4885

“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.