SCHEMBL16804690

SCHEMBL16804690

CN(CCCc1ccccc1)CCOc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LTA4H P09960 7/20 0.53
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
FAAH O00519 1/20 0.48
TGM2 P21980 1/20 0.47
KCNH2 Q12809 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL16804696 0.97 MAPT (0.58) MAPTL3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL16804693 0.93 MAPT (0.53) MAPTL3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL936949 0.92 L3MBTL1 (0.61) MAPTL3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL16804700 0.91 HTT (0.58) MAPTL3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL16804697 0.90 MTNR1A (0.49) MAPTL3MBTL1LTA4HBCHEACHE
SCHEMBL16572084 0.86 L3MBTL1 (0.69) MAPTL3MBTL1HTTLMNASMN1; SMN2
SCHEMBL16572083 0.86 MAPT (0.60) MAPTL3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL16572102 0.85 MAPT (0.59) MAPTL3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL3797832 0.85 L3MBTL1 (0.64) MAPTL3MBTL1HTTLMNASMN1; SMN2
SCHEMBL16804687 0.85 L3MBTL1 (0.67) MAPTL3MBTL1HTTLMNASMN1; SMN2

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 MAPT 4487/4885L3MBTL1 4154/4885LTA4H 77/4885
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A MAPT 4148/4885L3MBTL1 4397/4885LTA4H 129/4885
US-20150166487-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A MAPT 4148/4885L3MBTL1 4397/4885LTA4H 129/4885

“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.