SCHEMBL2482090

SCHEMBL2482090

COC(=O)C(N)(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.53
KIF11 P52732 6/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KCNH2 Q12809 1/20 0.46
PTGS2 P35354 1/20 0.46
F10 P00742 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
HDAC3 O15379 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
Hydrochloric Acid SCHEMBL7148002 0.88 KCNN4 (0.62) KCNN4NPC1RAB9ACES1ALDH1A1
SCHEMBL840977 0.83 KCNN4 (0.53) KCNN4KIF11NPC1RAB9AALDH1A1
SCHEMBL1968658 0.77 MAPT (0.53) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL1969077 0.77 MAPT (0.53) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL7039303 0.77 CA1 (0.53) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL2482101 0.76 KCNN4 (0.53) KCNN4KIF11NPC1RAB9ASMN1; SMN2
SCHEMBL1271654 0.76 KCNN4 (0.61) KCNN4KIF11CES2CES1KCNH2
SCHEMBL113271 0.76 KCNN4 (0.61) KCNN4KIF11CES2CES1KCNH2
Triphenylmethanamine SCHEMBL14120500 0.76 KCNN4 (0.61) KCNN4KIF11CES2CES1KCNH2
SCHEMBL6045338 0.75 KCNN4 (0.55) KCNN4KIF11NPC1RAB9ACES2

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 1396/4885KIF11 3821/4885NPC1 3801/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG KCNN4 1396/4885KIF11 3821/4885NPC1 3801/4885

“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.