SCHEMBL1110596

SCHEMBL1110596

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.51
GPR119 Q8TDV5 5/20 0.50
PARP1 P09874 1/20 0.49
HSD11B1 P28845 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 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
SCHEMBL13872064 0.86 POLB (0.68) POLBALDH1A1GPR119PARP1MEN1
SCHEMBL652792 0.84 GRM5 (0.53) ALDH1A1GPR119THRB
SCHEMBL19120304 0.83 GPR119 (0.44) POLBALDH1A1GPR119PARP1HSD11B1
SCHEMBL27316016 0.83 PARP14 (0.46) POLBALDH1A1GPR119PARP1CHRM2
SCHEMBL3151354 0.82 POLB (0.61) POLBGPR119PARP1HSD11B1MEN1
SCHEMBL13872061 0.82 POLB (0.64) POLBGPR119PARP1MEN1KMT2A
SCHEMBL1222509 0.81 POLB (0.62) POLBALDH1A1GPR119PARP1MEN1
SCHEMBL223688 0.80 POLB (0.61) POLBALDH1A1GPR119PARP1MEN1
SCHEMBL4473489 0.80 POLB (0.61) POLBALDH1A1MEN1KMT2ATP53
SCHEMBL2457525 0.80 CKS1B (0.53) ALDH1A1GPR119MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO disclosed
EP-1327630-B1 NEW DERIVATIVES OF CYANO-ARYL (OR CYANOHETEROARYL)-CARBONYL-PIPERAZINYL-PYRIMIDINES, THEIR PREPARATION AND APPLICATION AS MEDICATION ESTEVE LABOR DR (ES) 2007-12-12 EP disclosed
US-7300937-B2 Derivatives of cyano-aryl (or cyanoheteroaryl)-carbonyl-piperazinyl-pyrimidines, their preparation and application as medication LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-27 US disclosed
US-20040048872-A1 New derivatives of cyano-aryl (or cyanoheteroaryl) -carbonyl- piperazinyl - pyrimidines, their preparation and application as medication LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2004-03-11 US disclosed
EP-1327630-A1 NEW DERIVATIVES OF CYANO-ARYL (OR CYANOHETEROARYL)-CARBONYL-PIPERAZINYL-PYRIMIDINES, THEIR PREPARATION AND APPLICATION AS MEDICATION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2003-07-16 EP 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-20040048872-A1 New derivatives of cyano-aryl (or cyanoheteroaryl) -carbonyl- piperazinyl - pyrimidines, their preparation and application as medication CBR3, CBR1, CNR1 POLB 2115/4885ALDH1A1 304/4885GPR119 973/4885
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 POLB 4579/4885ALDH1A1 49/4885GPR119 12/4885

“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.