SCHEMBL3682586

SCHEMBL3682586

CC(C)(C)OC(=O)N1CC=CC1c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.38
BCL2 P10415 1/20 0.36
NPC1 O15118 1/20 0.34
METAP1 P53582 1/20 0.34
DTYMK P23919 1/20 0.32
POLB P06746 1/20 0.32
CPB2 Q96IY4 1/20 0.31
ELANE P08246 1/20 0.31
PREP P48147 1/20 0.31
CNR1 P21554 1/20 0.31
GRM5 P41594 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL30563655 0.81 BCL2 (0.39) GPR119BCL2NPC1METAP1DTYMK
SCHEMBL30563646 0.76 PKM (0.46) GPR119NPC1POLBLMNAMEN1
SCHEMBL29514529 0.75 GPR119 (0.39) GPR119GRM5LMNANPSR1MEN1
SCHEMBL23559241 0.75 GPR119 (0.35) GPR119POLBMEN1KMT2A
SCHEMBL22824514 0.75 ALDH1A1 (0.44) GPR119BCL2NPC1POLBLMNA
SCHEMBL20807473 0.75 ALDH1A1 (0.44) GPR119BCL2NPC1POLBLMNA
SCHEMBL26134900 0.74 GPR119 (0.45) GPR119DTYMKPOLB
SCHEMBL31597669 0.73 PREP (0.34) GPR119ELANEPREPMEN1KMT2A
SCHEMBL25365626 0.73 HTRA1 (0.38) GPR119BCL2NPC1POLB
SCHEMBL25364473 0.73 HTRA1 (0.38) GPR119BCL2NPC1POLB

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
CN-116848107-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2023-10-03 CN disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 GPR119 3009/4885BCL2 2538/4885NPC1 229/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 GPR119 3009/4885BCL2 2538/4885NPC1 229/4885

“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.