SCHEMBL16764326

SCHEMBL16764326

CC(C)(C)OC(=O)N1CCC[C@@H](NCCNc2cccc(Cl)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 2/20 0.57
▸ USP30 Q70CQ3 3/20 0.54
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ STS P08842 1/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AHCY P23526 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 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
SCHEMBL16764325 1.00 ANO1 (0.57) ANO1USP30CNR1CNR2STS
SCHEMBL3003635 0.87 ANO1 (0.56) ANO1USP30CNR1CNR2STS
SCHEMBL28833625 0.84 BTK (0.49) LMNAMAPTSMN1; SMN2BTK
SCHEMBL28833624 0.84 BTK (0.49) LMNAMAPTSMN1; SMN2BTK
SCHEMBL23080971 0.78 OPRL1 (0.42) LMNAMAPTBTK
SCHEMBL16163467 0.77 USP30 (0.60) USP30STSPARP1
SCHEMBL14747175 0.77 HTT (0.51) ANO1USP30CNR1CNR2STS
SCHEMBL3032509 0.77 TGFBR1 (0.56) STSSMN1; SMN2
SCHEMBL2728420 0.77 USP30 (0.60) USP30STSPARP1
SCHEMBL10226748 0.77 USP30 (0.60) USP30STSPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-03-12 — — US disclosed
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — US disclosed
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 — — US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 — — EP disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — US disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 — — US disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 — — US disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 — — US disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 — — US disclosed
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 — — WO disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 — — US disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 — — 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 (7 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK ANO1 4462/4885USP30 1594/4885CNR1 3301/4885
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK ANO1 4560/4885USP30 1529/4885CNR1 3370/4885
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK ANO1 4462/4885USP30 1594/4885CNR1 3301/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK ANO1 4557/4885USP30 1524/4885CNR1 3404/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK ANO1 4557/4885USP30 1524/4885CNR1 3404/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK ANO1 4462/4885USP30 1594/4885CNR1 3301/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK ANO1 4557/4885USP30 1524/4885CNR1 3404/4885

“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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