SCHEMBL20601294

SCHEMBL20601294

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.56
▸ ITGA2B P08514 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ CCR1 P32246 6/20 0.49
▸ KCNH2 Q12809 1/20 0.47
▸ UTS2R Q9UKP6 10/20 0.47

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
SCHEMBL20601405 0.88 KDM4E (0.52) ITGB3ITGA2BKDM4EGAACCR1
SCHEMBL20601472 0.88 KDM4E (0.56) ITGB3ITGA2BKDM4EGAACCR1
SCHEMBL20601295 0.87 KDM4E (0.58) ITGB3ITGA2BKDM4EGAACCR1
SCHEMBL20601297 0.87 KDM4E (0.58) ITGB3ITGA2BKDM4EGAACCR1
SCHEMBL20601244 0.87 KDM4E (0.51) ITGB3ITGA2BKDM4EGAACCR1
SCHEMBL20601301 0.87 KDM4E (0.53) ITGB3ITGA2BKDM4EGAACCR1
SCHEMBL20618746 0.86 KDM4E (0.54) ITGB3ITGA2BKDM4EGAACCR1
SCHEMBL20601245 0.85 CCR1 (0.49) ITGB3ITGA2BKDM4EGAACCR1
SCHEMBL20618552 0.85 KDM4E (0.58) ITGB3ITGA2BKDM4EGAAUTS2R
SCHEMBL23111244 0.85 KDM4E (0.51) ITGB3ITGA2BKDM4EGAACCR1

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 4 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

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 ITGB3 4503/4885ITGA2B 4280/4885KDM4E 657/4885

“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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