SCHEMBL20601405

SCHEMBL20601405

CCCC(=O)N1CCC(CC(NC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ ITGB3 P05106 1/20 0.52
▸ ITGA2B P08514 1/20 0.52
▸ CCR1 P32246 6/20 0.49
▸ UTS2R Q9UKP6 11/20 0.47
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL20601294 0.88 ITGB3 (0.56) KDM4EGAAITGB3ITGA2BCCR1
SCHEMBL20601472 0.88 KDM4E (0.56) KDM4EGAAITGB3ITGA2BCCR1
SCHEMBL20601295 0.87 KDM4E (0.58) KDM4EGAAITGB3ITGA2BCCR1
SCHEMBL20601297 0.87 KDM4E (0.58) KDM4EGAAITGB3ITGA2BCCR1
SCHEMBL20601244 0.87 KDM4E (0.51) KDM4EGAAITGB3ITGA2BCCR1
SCHEMBL20618556 0.86 KDM4E (0.55) KDM4EGAAITGB3ITGA2BCCR1
SCHEMBL20618744 0.86 KDM4E (0.55) KDM4EGAAITGB3ITGA2BCCR1
SCHEMBL20618746 0.86 KDM4E (0.54) KDM4EGAAITGB3ITGA2BCCR1
SCHEMBL20618552 0.85 KDM4E (0.58) KDM4EGAAITGB3ITGA2BUTS2R
SCHEMBL20601301 0.85 KDM4E (0.53) KDM4EGAAITGB3ITGA2BCCR1

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 657/4885GAA 462/4885ITGB3 4503/4885

“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.

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