SCHEMBL20618556

SCHEMBL20618556

CCOC(=O)N1CCC(C[C@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ GAA P10253 2/20 0.52
▸ TSHR P16473 1/20 0.51
▸ CCR1 P32246 4/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ UTS2R Q9UKP6 6/20 0.47
▸ LMNA P02545 1/20 0.46

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
SCHEMBL20618744 1.00 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2GAATSHR
SCHEMBL20601429 0.93 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2GAATSHR
SCHEMBL20618746 0.92 KDM4E (0.54) KDM4EGAACCR1ITGB3ITGA2B
SCHEMBL20601245 0.91 CCR1 (0.49) KDM4EALDH1A1SMN1; SMN2GAACCR1
SCHEMBL20601371 0.91 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2GAACCR1
SCHEMBL20601494 0.91 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2GAACCR1
SCHEMBL20601299 0.90 KDM4E (0.50) KDM4ESMN1; SMN2GAACCR1ITGB3
SCHEMBL20601214 0.90 TSHR (0.51) KDM4EALDH1A1GAATSHRCCR1
SCHEMBL20601521 0.90 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2GAACCR1
SCHEMBL23111244 0.89 KDM4E (0.51) KDM4EGAACCR1ITGB3ITGA2B

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 2 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
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 657/4885ALDH1A1 816/4885SMN1; SMN2 2957/4885

“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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