SCHEMBL19409031

SCHEMBL19409031

CN(C)CC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.62
▸ CA2 P00918 2/20 0.62
▸ HSD11B1 P28845 9/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CTSK P43235 2/20 0.48
▸ BTK Q06187 2/20 0.45
▸ EPHX1 P07099 1/20 0.43
▸ NPC1L1 Q9UHC9 2/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ JAK3 P52333 1/20 0.41

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
SCHEMBL4760808 0.85 CTSK (0.50) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL25035175 0.85 CA1 (0.65) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL28619437 0.85 CA1 (0.65) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL24278251 0.85 CA1 (0.65) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL25819298 0.82 CA1 (0.62) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL24716314 0.81 CA1 (0.61) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL23196344 0.81 CA1 (0.61) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL17545919 0.81 CA1 (0.71) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL3487489 0.81 CA1 (0.71) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL1159171 0.81 CA1 (0.71) CA1CA2HSD11B1CYP2C9CTSK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2020-11-03 — — US disclosed
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2020-10-13 — — US disclosed
US-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2020-06-23 — — US disclosed
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 — — US disclosed
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 — — US disclosed
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-10-05 — — US 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 (6 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-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 CA1 4082/4885CA2 2968/4885HSD11B1 2194/4885
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 CA1 4199/4885CA2 3074/4885HSD11B1 1875/4885
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 CA1 4082/4885CA2 2968/4885HSD11B1 2194/4885
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 CA1 4199/4885CA2 3074/4885HSD11B1 1875/4885
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 CA1 4199/4885CA2 3074/4885HSD11B1 1875/4885
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, MYLK2 CA1 4199/4885CA2 3074/4885HSD11B1 1875/4885

“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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