SCHEMBL16804697

SCHEMBL16804697

CN(CCCc1cccc2ccccc12)CCOc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BCHE P06276 8/20 0.45
ACHE P22303 8/20 0.45
FAAH O00519 2/20 0.45
LTA4H P09960 3/20 0.45
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TPSAB1 Q15661 1/20 0.43
SLC6A5 Q9Y345 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
SCHEMBL16804690 0.90 MAPT (0.59) MTNR1AMTNR1BMAPTL3MBTL1BCHE
SCHEMBL16804693 0.88 MAPT (0.53) MTNR1AMTNR1BMAPTL3MBTL1BCHE
SCHEMBL16804696 0.87 MAPT (0.58) MAPTL3MBTL1BCHEACHEFAAH
SCHEMBL936949 0.82 L3MBTL1 (0.61) MAPTL3MBTL1LTA4HFFAR1
SCHEMBL16804700 0.82 HTT (0.58) MAPTL3MBTL1SLC6A5
SCHEMBL16804703 0.79 KCNH2 (0.46) MTNR1AMTNR1BLTA4HFFAR1AKR1B1
SCHEMBL16572084 0.77 L3MBTL1 (0.69) MAPTL3MBTL1BCHEFFAR1
SCHEMBL16572083 0.77 MAPT (0.60) MAPTL3MBTL1BCHE
SCHEMBL16572102 0.77 MAPT (0.59) MAPTL3MBTL1BCHE
SCHEMBL16804687 0.77 L3MBTL1 (0.67) MAPTL3MBTL1BCHEFFAR1

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-20150166487-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2015-06-18 US disclosed
US-20150166488-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPTHELIAL 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 MTNR1A 1553/4885MTNR1B 967/4885MAPT 4487/4885
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A MTNR1A 2086/4885MTNR1B 1014/4885MAPT 4148/4885
US-20150166487-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A MTNR1A 2086/4885MTNR1B 1014/4885MAPT 4148/4885

“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.