SCHEMBL20618541

SCHEMBL20618541

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.53
▸ ITGA2B P08514 5/20 0.53
▸ NPC1 O15118 1/20 0.45
▸ CCR1 P32246 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ SLC6A9 P48067 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNB1 Q02641 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL20618750 0.87 ITGB3 (0.50) ITGB3ITGA2BNPC1CCR1ALDH1A1
SCHEMBL20601329 0.86 MAPK1 (0.51) ITGB3ITGA2BNPC1CCR1ALDH1A1
SCHEMBL20601214 0.83 TSHR (0.51) ITGB3ITGA2BNPC1CCR1ALDH1A1
SCHEMBL20601480 0.81 KDM4E (0.58) ITGB3ITGA2BNPC1LMNA
SCHEMBL20601561 0.81 ALOX15 (0.47) ITGB3ITGA2BNPC1CCR1ALDH1A1
SCHEMBL20601294 0.81 ITGB3 (0.56) ITGB3ITGA2BCCR1GAA
SCHEMBL20618746 0.77 KDM4E (0.54) ITGB3ITGA2BCCR1GAAMAPK1
SCHEMBL20601405 0.75 KDM4E (0.52) ITGB3ITGA2BCCR1GAA
SCHEMBL23111244 0.74 KDM4E (0.51) ITGB3ITGA2BCCR1GAA
SCHEMBL20601472 0.74 KDM4E (0.56) ITGB3ITGA2BCCR1GAA

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 3 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
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 4280/4885NPC1 984/4885

“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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