SCHEMBL16808348

SCHEMBL16808348

CC(C)(C)OC(=O)NCCCc1ccc(CCCCN)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.55
CA2 P00918 8/20 0.55
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.46
NAMPT P43490 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL25943313 0.96 CA1 (0.52) CA1CA2TDP1SIGMAR1CA12
SCHEMBL30048842 0.90 CA2 (0.59) CA1CA2TDP1SIGMAR1CA12
SCHEMBL966019 0.89 CA1 (0.48) CA1CA2TDP1SIGMAR1CA12
SCHEMBL937628 0.88 ESRRG (0.50) CA1CA2SIGMAR1
SCHEMBL21483401 0.88 CA1 (0.52) CA1CA2TDP1SIGMAR1CA12
SCHEMBL2328368 0.87 CA1 (0.61) CA1CA2CA12CA9KMT2A
SCHEMBL4039313 0.87 CA1 (0.56) CA1CA2TDP1SIGMAR1CA12
SCHEMBL938186 0.86 CA1 (0.55) CA1CA2TDP1SIGMAR1CA12
SCHEMBL937283 0.85 CA1 (0.50) CA1CA2TDP1SIGMAR1CA12
SCHEMBL25943493 0.85 CA1 (0.44) CA1CA2TDP1SIGMAR1CA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 4031/4885CA2 652/4885TDP1 4509/4885
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A CA1 3847/4885CA2 376/4885TDP1 4832/4885
US-20150166487-A1 ARYLALKYL- AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A CA1 3847/4885CA2 376/4885TDP1 4832/4885

“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.