SCHEMBL16764191

SCHEMBL16764191

CN(C)C(=O)C1(c2ccc(NC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.43
LPAR1 Q92633 1/20 0.43
CYP17A1 P05093 2/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
NAMPT P43490 1/20 0.41
EP300 Q09472 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
DRD2 P14416 1/20 0.38
LIPE Q05469 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MAP4K4 O95819 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
GHSR Q92847 1/20 0.38
HCRTR1 O43613 1/20 0.38

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
SCHEMBL350842 0.85 PSMB8 (0.46) PSMB8LPAR1CYP17A1BRD4CREBBP
SCHEMBL20899368 0.80 LPAR1 (0.51) PSMB8LPAR1CYP17A1BRD4CREBBP
SCHEMBL28306111 0.80 LPAR1 (0.51) PSMB8LPAR1CYP17A1BRD4CREBBP
SCHEMBL25640354 0.79 CYP17A1 (0.48) PSMB8CYP17A1BRD4CREBBPNAMPT
SCHEMBL28305062 0.78 MAPT (0.46) PSMB8CYP17A1BRD4CREBBPNAMPT
SCHEMBL29791359 0.77 PSMB8 (0.47) PSMB8CYP17A1BRD4CREBBPNAMPT
SCHEMBL13055402 0.77 CYP17A1 (0.59) PSMB8CYP17A1NAMPTMAPKAPK2DRD2
SCHEMBL20865566 0.76 ALDH1A1 (0.52) PSMB8CYP17A1BRD4CREBBPNAMPT
SCHEMBL31570578 0.76 DRD2 (0.48) PSMB8CYP17A1BRD4CREBBPNAMPT
SCHEMBL16763637 0.75 NAMPT (0.45) PSMB8CYP17A1BRD4CREBBPNAMPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 US disclosed
EP-3077388-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, LLC (US) 2016-10-12 EP 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
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 US 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
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PSMB8 1879/4885LPAR1 2259/4885CYP17A1 3975/4885
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK PSMB8 1990/4885LPAR1 2068/4885CYP17A1 4011/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PSMB8 1767/4885LPAR1 2281/4885CYP17A1 3957/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PSMB8 1767/4885LPAR1 2281/4885CYP17A1 3957/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PSMB8 1767/4885LPAR1 2281/4885CYP17A1 3957/4885

“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.