SCHEMBL20601431

SCHEMBL20601431

CC(C)(C)OC(=O)N1CCC(CC(NC(=O)c2ccc(F)cc2)C2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 2/20 0.45
MMP13 P45452 1/20 0.45
CTSL P07711 2/20 0.45
MEN1 O00255 1/20 0.44
EPHX1 P07099 1/20 0.44
GPR119 Q8TDV5 4/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
S1PR2 O95136 1/20 0.43
USP30 Q70CQ3 1/20 0.43
BRD3 Q15059 1/20 0.42

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 0.90 KDM4E (0.50) KDM4EPKMKMT2AMEN1EPHX1
SCHEMBL20601226 0.90 KDM4E (0.50) KDM4EPKMKMT2AEPHX1GPR119
SCHEMBL20601533 0.89 KDM4E (0.51) KDM4EPKMKMT2AMEN1EPHX1
SCHEMBL20601293 0.89 KDM4E (0.51) KDM4EPKMKMT2AEPHX1GPR119
SCHEMBL20601257 0.85 KDM4E (0.53) KDM4EPKMKMT2AGPR119ABL1
SCHEMBL20601221 0.85 KDM4E (0.53) KDM4EPKMKMT2AMEN1GPR119
SCHEMBL20601259 0.85 KDM4E (0.53) KDM4EPKMKMT2AGPR119ABL1
SCHEMBL20601223 0.85 KDM4E (0.53) KDM4EPKMKMT2AMEN1GPR119
SCHEMBL20615645 0.84 GPR119 (0.51) KDM4EPKMKMT2AMMP13MEN1
SCHEMBL20615650 0.84 GPR119 (0.51) KDM4EPKMKMT2AMMP13MEN1

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.