SCHEMBL20601427

SCHEMBL20601427

CC(C)(C)OC(=O)N1CCC(C[C@H](NC(=O)c2ccc(Cl)s2)C2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACKR3 P25106 1/20 0.41
GLS O94925 2/20 0.41
STS P08842 3/20 0.40
GPR119 Q8TDV5 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20601386 1.00 KDM4E (0.45) KDM4EPKMNPC1ALDH1A1MAPT
SCHEMBL20601241 1.00 KDM4E (0.45) KDM4EPKMNPC1ALDH1A1MAPT
SCHEMBL20601512 0.96 KDM4E (0.44) KDM4EPKMNPC1ALDH1A1MAPT
SCHEMBL20601352 0.95 KDM4E (0.43) KDM4EPKMNPC1ALDH1A1MAPT
SCHEMBL20601303 0.90 SMN1; SMN2 (0.42) KDM4EALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL20601408 0.90 SMN1; SMN2 (0.42) KDM4EALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL20601302 0.90 SMN1; SMN2 (0.42) KDM4EALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL20601255 0.89 KDM4E (0.46) KDM4EPKMNPC1ALDH1A1MAPT
SCHEMBL20601254 0.89 KDM4E (0.46) KDM4EPKMNPC1ALDH1A1MAPT
SCHEMBL20615694 0.89 ALDH1A1 (0.43) KDM4EPKMNPC1ALDH1A1MAPT

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 892/4885NPC1 984/4885

“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.