SCHEMBL20601445

SCHEMBL20601445

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
PKM P14618 1/20 0.68
GPR119 Q8TDV5 5/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
STS P08842 1/20 0.52
YAP1 P46937 2/20 0.51
TGFBR1 P36897 1/20 0.50
LIMK2 P53671 1/20 0.50
CCR8 P51685 1/20 0.49
SFRP1 Q8N474 1/20 0.48

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
SCHEMBL7732370 0.88 KDM4E (0.67) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL20618575 0.87 KDM4E (0.65) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL15537093 0.87 KMT2A (0.58) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL8346703 0.86 GPR119 (0.56) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL3525137 0.86 KDM4E (0.55) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL8346803 0.86 KDM4E (0.55) KDM4EPKMGPR119YAP1TGFBR1
SCHEMBL30848494 0.86 KDM4E (0.55) KDM4EPKMGPR119YAP1TGFBR1
SCHEMBL20601273 0.85 KDM4E (0.63) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL20601271 0.85 KDM4E (0.63) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL20618530 0.85 KDM4E (0.63) KDM4EPKMGPR119MEN1KMT2A

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 892/4885GPR119 41/4885

“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.