SCHEMBL20601366

SCHEMBL20601366

CC(C)(C)OC(=O)N1CCC(CC(NC(=O)C2CCCCCC2)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
STS P08842 1/20 0.50
CCR5 P51681 3/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
F2R P25116 1/20 0.47
GPR119 Q8TDV5 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
LMNA P02545 1/20 0.45
YAP1 P46937 2/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TGFBR1 P36897 1/20 0.44

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
SCHEMBL20601229 1.00 KDM4E (0.53) KDM4EPKMSTSCCR5ITGB3
SCHEMBL20601545 0.99 KDM4E (0.53) KDM4EPKMSTSCCR5ITGB3
SCHEMBL20618712 0.91 CCR5 (0.46) KDM4EPKMSTSCCR5ITGB3
SCHEMBL20601208 0.91 KDM4E (0.52) KDM4EPKMSTSGPR119L3MBTL1
SCHEMBL20618590 0.90 CCR5 (0.47) KDM4EPKMSTSCCR5ITGB3
SCHEMBL20601233 0.85 KDM4E (0.66) KDM4EPKMSTSITGB3ITGA2B
SCHEMBL20601411 0.84 KDM4E (0.53) KDM4EPKMSTSGPR119L3MBTL1
SCHEMBL20601466 0.84 KDM4E (0.49) KDM4EPKMSTSGPR119L3MBTL1
SCHEMBL20601549 0.82 KDM4E (0.59) KDM4EPKMSTSITGB3ITGA2B
SCHEMBL20601317 0.82 KDM4E (0.53) KDM4EPKMSTSGPR119L3MBTL1

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 6 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
CN-110770222-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 CN 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 892/4885STS 2569/4885

“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.