SCHEMBL20601293

SCHEMBL20601293

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.46
FPR2 P25090 4/20 0.46
FPR3 P25089 2/20 0.44
GPR119 Q8TDV5 4/20 0.43
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
USP30 Q70CQ3 1/20 0.41
HDAC4 P56524 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL20601226 0.99 KDM4E (0.50) KDM4EPKMKMT2AFPR2FPR3
SCHEMBL20601259 0.96 KDM4E (0.53) KDM4EPKMKMT2AFPR2FPR3
SCHEMBL20601257 0.96 KDM4E (0.53) KDM4EPKMKMT2AFPR2FPR3
SCHEMBL20618701 0.90 KDM4E (0.40) KDM4EPKMKMT2AFPR2FPR3
SCHEMBL20601533 0.90 KDM4E (0.51) KDM4EPKMKMT2AGPR119EPHX1
SCHEMBL20601431 0.89 KDM4E (0.50) KDM4EPKMKMT2AGPR119EPHX1
SCHEMBL20601236 0.89 KDM4E (0.50) KDM4EPKMKMT2AGPR119EPHX1
SCHEMBL20601221 0.86 KDM4E (0.53) KDM4EPKMKMT2AGPR119ALDH1A1
SCHEMBL20601223 0.86 KDM4E (0.53) KDM4EPKMKMT2AGPR119ALDH1A1
SCHEMBL20601522 0.84 KDM4E (0.53) KDM4EPKMKMT2AFPR2FPR3

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.