SCHEMBL389135

SCHEMBL389135

CC(C)(C)OC(=O)N1CCN(c2noc(-c3sccc3Cl)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
S1PR1 P21453 1/20 0.41
CASP3 P42574 6/20 0.41
PIK3CA P42336 2/20 0.41
DPP4 P27487 1/20 0.41
ACHE P22303 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HDAC4 P56524 1/20 0.40
POLB P06746 1/20 0.40
PTPN11 Q06124 1/20 0.39

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
SCHEMBL387967 0.81 S1PR1 (0.54) EPHA2KDREPHB4S1PR1PIK3CA
SCHEMBL2246945 0.81 NPC1 (0.59) GBA1S1PR1PIK3CAACHEGPR119
SCHEMBL4593631 0.80 CASP3 (0.51) CASP3
SCHEMBL387529 0.78 CKS1B (0.56) GBA1S1PR1PIK3CAACHEGPR119
SCHEMBL4585637 0.77 NPC1 (0.57) CASP3
SCHEMBL20117170 0.77 ACHE (0.46) EPHA2KDREPHB4S1PR1PIK3CA
SCHEMBL4424692 0.76 RAB9A (0.59) CASP3ACHE
SCHEMBL391852 0.74 GBA1 (0.57) GBA1S1PR1PIK3CAACHEGPR119
SCHEMBL391468 0.74 ADORA2A (0.44) S1PR1PIK3CAACHEGPR119ADORA2A
SCHEMBL14991092 0.74 GPR119 (0.47) PIK3CADPP4ACHEGPR119ADORA2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US claimed
EP-1581213-A4 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2008-11-19 EP claimed
US-7317029-B2 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-01-08 US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP claimed
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CYTOVIA, INC. (US) 2007-05-17 US claimed
US-7144876-B2 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-12-05 US claimed
CN-1756547-A 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC 2006-04-05 CN claimed
EP-1581213-A1 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-10-05 EP claimed
WO-2004058253-A1 3,5-DISUBSTITUTED-[1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2004-07-15 WO claimed
US-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-07-01 US claimed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
EP-1581213-A4 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2008-11-19 EP disclosed
US-7317029-B2 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-01-08 US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed
US-7144876-B2 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-12-05 US disclosed
CN-1756547-A 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC 2006-04-05 CN disclosed
EP-1581213-A1 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-10-05 EP disclosed
WO-2004058253-A1 3,5-DISUBSTITUTED-[1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2004-07-15 WO disclosed
US-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-07-01 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 (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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C GBA1 893/4885EPHA2 4077/4885KDR 2104/4885
US-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP1, CASP3, CASP2 GBA1 2730/4885EPHA2 3358/4885KDR 3742/4885
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CASP1, CASP3, CASP2 GBA1 3136/4885EPHA2 3197/4885KDR 3211/4885

“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.