SCHEMBL2487571

SCHEMBL2487571

COC(=O)C(N)(c1ccccc1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.51
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRC P12931 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37

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
Hydrochloric Acid SCHEMBL7148002 0.81 KCNN4 (0.62) KCNN4CYP3A4MAPTSRCRAB9A
Hydrochloric Acid SCHEMBL27841045 0.80 KCNN4 (0.57) KCNN4KCNE1KCNQ1MAPTKMT2A
SCHEMBL15602074 0.79 KCNN4 (0.44) KCNN4KCNE1KCNQ1CYP3A4GAA
Hydrochloric Acid SCHEMBL16059704 0.78 KCNN4 (0.42) KCNN4KCNE1KCNQ1CYP3A4GAA
SCHEMBL840977 0.78 KCNN4 (0.53) KCNN4ALOX12SRCRAB9ANPC1
SCHEMBL2482101 0.77 KCNN4 (0.53) KCNN4CYP2C19SRCRAB9ANPC1
SCHEMBL568420 0.76 KCNN4 (0.43) KCNN4KCNE1KCNQ1CYP3A4GAA
SCHEMBL568421 0.76 KCNN4 (0.43) KCNN4KCNE1KCNQ1CYP3A4GAA
SCHEMBL28868002 0.75 KCNN4 (0.44) KCNN4KCNE1KCNQ1CYP3A4GAA
SCHEMBL1239033 0.75 PLCG1 (0.49) KCNN4KCNE1KCNQ1CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG KCNN4 1396/4885KCNE1 950/4885KCNQ1 1085/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG KCNN4 1396/4885KCNE1 950/4885KCNQ1 1085/4885

“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.