SCHEMBL20601533

SCHEMBL20601533

CC(C)(C)OC(=O)N1CCC(CC(NC(=O)c2ccc(Cl)cc2)C2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
STS P08842 2/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
CCR1 P32246 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43

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
SCHEMBL20601236 0.99 KDM4E (0.50) KDM4EPKMKMT2AMEN1SMN1; SMN2
SCHEMBL20601221 0.96 KDM4E (0.53) KDM4EPKMKMT2AMEN1SMN1; SMN2
SCHEMBL20601223 0.96 KDM4E (0.53) KDM4EPKMKMT2AMEN1SMN1; SMN2
SCHEMBL20601293 0.90 KDM4E (0.51) KDM4EPKMKMT2AHTTNPSR1
SCHEMBL20601226 0.89 KDM4E (0.50) KDM4EPKMKMT2AHTTALDH1A1
SCHEMBL20601431 0.89 KDM4E (0.50) KDM4EPKMKMT2AMEN1GPR119
SCHEMBL20601257 0.86 KDM4E (0.53) KDM4EPKMKMT2AHTTALDH1A1
SCHEMBL20601259 0.86 KDM4E (0.53) KDM4EPKMKMT2AHTTALDH1A1
SCHEMBL20615730 0.85 SMN1; SMN2 (0.51) KDM4EPKMKMT2AMEN1SMN1; SMN2
SCHEMBL20600961 0.85 SMN1; SMN2 (0.51) KDM4EPKMKMT2AMEN1SMN1; SMN2

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 892/4885KMT2A 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.