SCHEMBL20601409

SCHEMBL20601409

CC(C)(C)OC(=O)N1CCC(C[C@@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CCR1 P32246 3/20 0.47
STS P08842 1/20 0.46
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
YAP1 P46937 1/20 0.45
UTS2R Q9UKP6 3/20 0.45

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
SCHEMBL20601318 1.00 KDM4E (0.58) KDM4EPKMKMT2AMEN1GAA
SCHEMBL20601315 1.00 KDM4E (0.58) KDM4EPKMKMT2AMEN1GAA
SCHEMBL20601233 0.93 KDM4E (0.66) KDM4EPKMKMT2AMEN1HTT
SCHEMBL20601477 0.92 KDM4E (0.58) KDM4EPKMKMT2AHTTSTS
SCHEMBL20601549 0.91 KDM4E (0.59) KDM4EPKMKMT2ASTSITGB3
SCHEMBL20601482 0.91 KDM4E (0.59) KDM4EPKMKMT2AMEN1SMN1; SMN2
SCHEMBL20601480 0.90 KDM4E (0.58) KDM4EPKMKMT2AMEN1ITGB3
SCHEMBL20618718 0.90 KDM4E (0.58) KDM4EPKMKMT2ASTSITGB3
SCHEMBL20601384 0.90 KDM4E (0.58) KDM4EPKMKMT2ASTSITGB3
SCHEMBL20618746 0.90 KDM4E (0.54) KDM4EGAACCR1ITGB3ITGA2B

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
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
EP-3645519-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 KDM4E 657/4885PKM 892/4885KMT2A 1143/4885

“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.