SCHEMBL2482094

SCHEMBL2482094

COC(=O)CN(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.61
MTNR1B P49286 4/20 0.61
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.48
PTPN1 P18031 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL7437555 0.90 MTNR1A (0.49) MTNR1AMTNR1BKDM4ETSHRALDH1A1
SCHEMBL2485731 0.87 MTNR1A (0.60) MTNR1AMTNR1BKMT2AKDM4EHPGD
Hydrochloric Acid SCHEMBL2483359 0.85 MTNR1A (0.58) MTNR1AMTNR1BKMT2AKDM4EHPGD
SCHEMBL8805302 0.84 MTNR1A (0.57) MTNR1AMTNR1BKMT2AKDM4EHPGD
SCHEMBL10654450 0.80 MTNR1A (0.44) MTNR1AMTNR1BKMT2AKDM4EHPGD
SCHEMBL28700635 0.79 PTPN1 (0.54) MTNR1AMTNR1BKMT2AALDH1A1PTPN1
SCHEMBL6175826 0.79 ACHE (0.51) MTNR1AMTNR1BKMT2AKDM4EHPGD
SCHEMBL7674434 0.78 ACLY (0.42) MTNR1AMTNR1BKMT2ATSHRALDH1A1
SCHEMBL2487572 0.78 MTNR1A (0.40) MTNR1AMTNR1BKMT2AALDH1A1PTPN1
SCHEMBL28690878 0.78 MAPT (0.50) MTNR1AMTNR1BKMT2AALDH1A1CES2

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 57/4885KMT2A 1874/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MTNR1A 75/4885MTNR1B 57/4885KMT2A 1874/4885

“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.