SCHEMBL2487572

SCHEMBL2487572

COC(=O)CN(c1ccccc1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGIR P43119 1/20 0.38
NR1I2 O75469 1/20 0.38
POLB P06746 1/20 0.37
MLYCD O95822 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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 0.87 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1MAPK1NR1I2
SCHEMBL2482541 0.82 SCN9A (0.41) MTNR1AMTNR1BALDH1A1PTGIRMEN1
Hydrochloric Acid SCHEMBL2485776 0.81 SCN9A (0.41) MTNR1AMTNR1BALDH1A1PTGIRMEN1
SCHEMBL2482103 0.81 POLB (0.46) MTNR1AMTNR1BALDH1A1MAPK1POLB
SCHEMBL2482094 0.78 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1SMN1; SMN2POLB
SCHEMBL10458427 0.77 KDM4E (0.41) MTNR1AMTNR1BALDH1A1MAPK1SMN1; SMN2
SCHEMBL7674434 0.76 ACLY (0.42) MTNR1AMTNR1BALDH1A1MAPK1NR1I2
SCHEMBL17652265 0.75 GSTO1 (0.51) ALDH1A1POLBMLYCDLMNAMEN1
SCHEMBL27485398 0.74 POLB (0.43) ALDH1A1MAPK1NR1I2POLBMLYCD
SCHEMBL8627738 0.73 POLB (0.46) MTNR1AMTNR1BALDH1A1MAPK1NR1I2

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 MTNR1A 75/4885MTNR1B 57/4885ALDH1A1 2693/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MTNR1A 75/4885MTNR1B 57/4885ALDH1A1 2693/4885

“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.