SCHEMBL16764162

SCHEMBL16764162

CC(C)(C)OC(=O)[C@@H]1CCCCN(N)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
HPGD P15428 1/20 0.41
EPHX1 P07099 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
BTK Q06187 1/20 0.35
PREP P48147 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
CTSK P43235 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5007737 0.95 HRH3 (0.42) HRH3HPGDEPHX1MEN1ALDH1A1
SCHEMBL16666240 0.95 HRH3 (0.42) HRH3HPGDEPHX1MEN1ALDH1A1
SCHEMBL1707724 0.95 HRH3 (0.42) HRH3HPGDEPHX1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL28556920 0.94 HRH3 (0.41) HRH3HPGDEPHX1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL28556919 0.94 HRH3 (0.41) HRH3HPGDEPHX1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL31015156 0.94 HRH3 (0.41) HRH3HPGDEPHX1MEN1ALDH1A1
SCHEMBL183835 0.88 HRH3 (0.48) HRH3HPGDMEN1ALDH1A1MAPT
SCHEMBL222318 0.88 HRH3 (0.48) HRH3HPGDMEN1ALDH1A1MAPT
SCHEMBL1852285 0.88 HRH3 (0.48) HRH3HPGDMEN1ALDH1A1MAPT
Piperazine SCHEMBL28277014 0.88 HRH3 (0.38) HRH3HPGDEPHX1MEN1ALDH1A1

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 9 patents. 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-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-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-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

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 HRH3 1934/4885HPGD 4062/4885EPHX1 2674/4885
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK HRH3 1770/4885HPGD 3959/4885EPHX1 2568/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HRH3 1935/4885HPGD 4059/4885EPHX1 2673/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HRH3 1935/4885HPGD 4059/4885EPHX1 2673/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HRH3 1935/4885HPGD 4059/4885EPHX1 2673/4885

“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.