SCHEMBL2482103

SCHEMBL2482103

COC(=O)CN(c1ccccc1)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TACR3 P29371 1/20 0.40
MAPK1 P28482 1/20 0.40
PRNP P04156 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39

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
SCHEMBL7437555 0.86 MTNR1A (0.49) POLBMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL2485896 0.83 SCN9A (0.46) POLBALDH1A1KDM4E
SCHEMBL13644955 0.82 TSHR (0.42) POLBTSHRALDH1A1KDM4EMAPK1
Hydrochloric Acid SCHEMBL2485113 0.81 SCN9A (0.45) POLBALDH1A1KDM4E
SCHEMBL2487572 0.81 MTNR1A (0.40) POLBMTNR1AMTNR1BALDH1A1MAPK1
SCHEMBL7674434 0.78 ACLY (0.42) POLBMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL2482094 0.77 MTNR1A (0.61) POLBMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL22828128 0.76 POLB (0.44) POLBALDH1A1
SCHEMBL27677648 0.74 NR3C2 (0.44) POLBTSHRALDH1A1MAPK1ABCG2
SCHEMBL2092944 0.74 PTGIR (0.52) KDM4ETACR3

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 POLB 2249/4885MTNR1A 75/4885MTNR1B 57/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG POLB 2249/4885MTNR1A 75/4885MTNR1B 57/4885

“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.