SCHEMBL3328004

SCHEMBL3328004

CC(C)(C)OC(=O)N1CC(c2cnc3[nH]ccc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.54
JAK1 P23458 8/20 0.46
JAK2 O60674 3/20 0.46
JAK3 P52333 3/20 0.46
TYK2 P29597 2/20 0.44
BCL2 P10415 2/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
BCL2L1 Q07817 1/20 0.42
PRMT5 O14744 1/20 0.41
CHRNA7 P36544 1/20 0.41
TNKS O95271 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL27774793 0.82 PIK3CA (0.42) PIK3CABCL2BCL2L1CHRNA7TNKS
SCHEMBL3327513 0.80 PDE4B (0.47) PIK3CAKDM4EPDE4B
SCHEMBL4829516 0.78 JAK1 (0.53) PIK3CAJAK1JAK2JAK3TYK2
SCHEMBL14382422 0.78 JAK1 (0.53) PIK3CAJAK1JAK2JAK3TYK2
SCHEMBL15554351 0.77 MAPT (0.49) PIK3CAJAK1DDB1CRBN
SCHEMBL20295597 0.76 POLB (0.44) DDB1CRBNPRMT5KDM4EPDE4B
SCHEMBL30740263 0.76 POLB (0.44) DDB1CRBNPRMT5KDM4EPDE4B
SCHEMBL25297123 0.75 POLB (0.43) DDB1CRBNKDM4E
SCHEMBL16517553 0.75 DDB1 (0.40) PIK3CAJAK1JAK2DDB1CRBN
SCHEMBL18318619 0.74 CHEK2 (0.54) PIK3CAJAK1JAK2JAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507469-B2 Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-08-13 US disclosed
US-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-06-03 US disclosed
EP-2155724-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-02-24 EP disclosed
WO-2008116833-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2008-10-02 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 (1 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-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR4, HTR3C PIK3CA 4567/4885JAK1 2468/4885JAK2 1181/4885

“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.