SCHEMBL16764376

SCHEMBL16764376

Nc1ccc(C2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 8/20 0.69
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 1/20 0.51
ESRRB O95718 2/20 0.50
ESRRG P62508 2/20 0.50
GRIN2B Q13224 3/20 0.47
ESR1 P03372 1/20 0.44
ESRRA P11474 1/20 0.44
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
ABCB1 P08183 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL14320844 0.98 SLC18A3 (0.66) SLC18A3CYP2D6CYP2C19ESRRBESRRG
Hydrochloric Acid SCHEMBL16763707 0.96 SLC18A3 (0.64) SLC18A3CYP2D6CYP2C19ESRRBESRRG
Hydrochloric Acid SCHEMBL16763829 0.93 SLC18A3 (0.59) SLC18A3CYP2D6CYP2C19ESRRBESRRG
SCHEMBL3515888 0.91 SLC18A3 (0.60) SLC18A3CYP2D6CYP2C19ESRRBESRRG
SCHEMBL22852296 0.84 CYP2D6 (0.57) SLC18A3CYP2D6CYP2C19ESRRBESRRG
SCHEMBL22852275 0.84 CYP2D6 (0.62) SLC18A3CYP2D6CYP2C19ESRRBESRRG
SCHEMBL22852297 0.84 CYP2D6 (0.62) SLC18A3CYP2D6CYP2C19ESRRBESRRG
SCHEMBL22852294 0.84 CYP2D6 (0.57) SLC18A3CYP2D6CYP2C19ESRRBESRRG
SCHEMBL22852288 0.84 CYP2D6 (0.62) SLC18A3CYP2D6CYP2C19ESRRBESRRG
SCHEMBL22852264 0.84 CYP2D6 (0.57) SLC18A3CYP2D6CYP2C19ESRRBESRRG

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
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 SLC18A3 4832/4885CYP2D6 2934/4885CYP2C19 2943/4885
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SLC18A3 4791/4885CYP2D6 3456/4885CYP2C19 3205/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK SLC18A3 4824/4885CYP2D6 3109/4885CYP2C19 3010/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK SLC18A3 4824/4885CYP2D6 3109/4885CYP2C19 3010/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK SLC18A3 4824/4885CYP2D6 3109/4885CYP2C19 3010/4885

“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.