SCHEMBL16804694

SCHEMBL16804694

CN(CCCOc1ccccc1)CCOc1ccc(CCCCN)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.63
LTA4H P09960 7/20 0.52
HRH3 Q9Y5N1 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL16804688 0.95 KCNH2 (0.59) KCNH2LTA4HSIGMAR1TSHR
SCHEMBL16804691 0.86 SIGMAR1 (0.64) KCNH2LTA4HSIGMAR1
SCHEMBL874547 0.83 HRH3 (0.70) KCNH2LTA4HHRH3
SCHEMBL16804703 0.82 KCNH2 (0.46) KCNH2LTA4HSIGMAR1
SCHEMBL16994453 0.81 SIGMAR1 (0.73) SIGMAR1
SCHEMBL4775058 0.78 KCNH2 (0.79) KCNH2LTA4HHRH3SIGMAR1TSHR
SCHEMBL873480 0.77 CYP1A2 (0.57) KCNH2LTA4HHRH3SIGMAR1
SCHEMBL22831362 0.77 KCNH2 (0.67) KCNH2LTA4HTSHR
SCHEMBL4658022 0.76 FFAR1 (0.62) LTA4H
SCHEMBL453501 0.76 FFAR1 (0.63) LTA4H

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-9957238-B2 Arylalkyl-and aryloxyalkyl-substituted epithelial sodium channel blocking compounds PARION SCIENCES, INC. (US) 2018-05-01 US disclosed
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2017-10-26 US disclosed
US-9586911-B2 Arylalkyl- and aryloxyalkyl-substituted epthelial sodium channel blocking compounds PARION SCIENCES, INC. (US) 2017-03-07 US disclosed
US-9102633-B2 Arylalkyl- and aryloxyalkyl-substituted epithelial sodium channel blocking compounds PARION SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20150166488-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPTHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2015-06-18 US disclosed
US-20150166487-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2015-06-18 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 (3 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-20150166488-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPTHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A KCNH2 33/4885LTA4H 77/4885HRH3 618/4885
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A KCNH2 25/4885LTA4H 129/4885HRH3 403/4885
US-20150166487-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A KCNH2 25/4885LTA4H 129/4885HRH3 403/4885

“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.