SCHEMBL20744482

SCHEMBL20744482

O=C(O)N1CC[C@H](COc2cccc(O)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.52
CHRNA3 P32297 6/20 0.52
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
MGLL Q99685 3/20 0.47
RBP4 P02753 2/20 0.45
FFAR1 O14842 1/20 0.44
F2 P00734 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CNR2 P34972 1/20 0.42
CNR1 P21554 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
SCHEMBL20744463 1.00 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4GRIN2D
SCHEMBL20744410 1.00 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4GRIN2D
SCHEMBL20744518 0.92 GRIN2D (0.55) CHRNB4CHRNA3CHRNB2CHRNA4GRIN2D
SCHEMBL30876487 0.84 SLC2A1 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL30876501 0.84 SLC2A1 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL22406147 0.84 SLC2A1 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20744411 0.84 TEAD1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20744503 0.84 TEAD1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20744395 0.84 TEAD1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19610437 0.84 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-3668877-B1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2024-05-01 EP disclosed
US-10980777-B2 Indole derivatives as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2021-04-20 US disclosed
US-20200289463-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2020-09-17 US disclosed
EP-3668877-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Istituto Europeo di Oncologia S.r.l. (IT) 2020-06-24 EP disclosed
WO-2019034774-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA (IEO) S.R.L. (IT) 2019-02-21 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 (2 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-10980777-B2 Indole derivatives as histone demethylase inhibitors KDM1B, KDM1A, INMT CHRNB4 1472/4885CHRNA3 699/4885CHRNB2 954/4885
US-20200289463-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, INMT CHRNB4 1472/4885CHRNA3 699/4885CHRNB2 954/4885

“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.