SCHEMBL20601332

SCHEMBL20601332

CC(C)(C)OC(=O)N1CCC(CC(NC(=O)c2ccc(F)s2)C2CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ACKR3 P25106 1/20 0.42
DPP4 P27487 1/20 0.42
GPR119 Q8TDV5 8/20 0.41
ALDH1A1 P00352 2/20 0.40
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLS O94925 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
SCN9A Q15858 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
SCHEMBL20601418 0.99 KDM4E (0.43) KDM4EPKMACKR3DPP4GPR119
SCHEMBL20601265 0.90 KDM4E (0.45) KDM4EPKMACKR3DPP4GPR119
SCHEMBL20601380 0.89 NPC1 (0.47) KDM4EPKMACKR3DPP4GPR119
SCHEMBL20601512 0.89 KDM4E (0.44) KDM4EPKMACKR3DPP4GPR119
SCHEMBL20601457 0.89 KDM4E (0.44) KDM4EPKMACKR3GPR119ALDH1A1
SCHEMBL20601207 0.88 NPC1 (0.48) KDM4EPKMACKR3DPP4GPR119
SCHEMBL20601352 0.88 KDM4E (0.43) KDM4EPKMACKR3GPR119ALDH1A1
SCHEMBL20601225 0.88 KDM4E (0.46) KDM4EPKMACKR3GPR119ALDH1A1
SCHEMBL20601255 0.86 KDM4E (0.46) KDM4EPKMACKR3DPP4GPR119
SCHEMBL20601254 0.86 KDM4E (0.46) KDM4EPKMACKR3DPP4GPR119

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 892/4885ACKR3 3020/4885

“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.