SCHEMBL16572306

SCHEMBL16572306

CC(C)(C)OC(=O)NCCOc1ccc(Br)c2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
SCN9A Q15858 1/20 0.40
IDO1 P14902 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
METAP2 P50579 1/20 0.39
PDK2 Q15119 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10110801 0.84 DRD2 (0.48) CA1CA2CA12CA9GAA
SCHEMBL706941 0.81 CA12 (0.45) CA1CA2CA12CA9KDM4E
SCHEMBL16572366 0.78 AAK1 (0.60) CA1CA2CA12CA9SCN9A
SCHEMBL25470611 0.77 CA12 (0.54) CA1CA2CA12CA9SCN9A
SCHEMBL709548 0.77 CA1 (0.44) CA1CA2CA12CA9SCN9A
SCHEMBL26001198 0.76 CA12 (0.50) CA1CA2CA12CA9SCN9A
SCHEMBL32684131 0.76 CA12 (0.50) CA1CA2CA12CA9SCN9A
SCHEMBL24552697 0.76 CA12 (0.50) CA1CA2CA12CA9SCN9A
SCHEMBL6926620 0.75 METAP2 (0.43) CA1CA2CA12CA9SCN9A
SCHEMBL31583892 0.75 CA12 (0.55) CA1CA2CA12CA9SCN9A

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
EP-3366680-B1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES INC (US) 2020-05-13 EP disclosed
US-20160122306-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2016-05-05 US disclosed
US-9260398-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2016-02-16 US disclosed
US-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2015-04-09 US disclosed
US-8980898-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2015-03-17 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 (2 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-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G CA1 1404/4885CA2 194/4885CA12 1001/4885
US-20160122306-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G CA1 1404/4885CA2 194/4885CA12 1001/4885

“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.