SCHEMBL21052508

SCHEMBL21052508

CC(C)(C(=O)N[C@H]1CC[C@@H](c2ccnc3ccccc32)CC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
SLC22A12 Q96S37 3/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
DRD3 P35462 3/20 0.40
HSD11B1 P28845 1/20 0.40
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
SSTR1 P30872 2/20 0.39
SSTR4 P31391 2/20 0.39
P2RX7 Q99572 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL21146772 1.00 IDO1 (0.43) IDO1SLC22A12DRD2HTR2ADRD3
SCHEMBL21146433 1.00 IDO1 (0.43) IDO1SLC22A12DRD2HTR2ADRD3
SCHEMBL21052509 1.00 IDO1 (0.43) IDO1SLC22A12DRD2HTR2ADRD3
SCHEMBL28426727 0.82 IDO1 (0.46) IDO1DRD2HTR2ADRD3CAMKK1
SCHEMBL22424970 0.78 SSTR4 (0.47) IDO1SLC22A12DRD2DRD3CAMKK1
SCHEMBL21146341 0.78 SSTR4 (0.47) IDO1SLC22A12DRD2DRD3CAMKK1
SCHEMBL17075123 0.74 MAPT (0.54) CAMKK1CAMKK2
SCHEMBL29392938 0.74 MAPT (0.54) CAMKK1CAMKK2
SCHEMBL22424992 0.74 CAMKK1 (0.48) IDO1SLC22A12DRD2DRD3CAMKK1
SCHEMBL21146060 0.74 CAMKK1 (0.48) IDO1SLC22A12DRD2DRD3CAMKK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720843-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-10-14 EP disclosed
US-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-17 US disclosed
WO-2019111107-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-13 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-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 IDO1 1/4885SLC22A12 2469/4885DRD2 3968/4885

“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.