SCHEMBL2487798

SCHEMBL2487798

CCOC(=O)C(N)(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
POLB P06746 1/20 0.46
PIN1 Q13526 1/20 0.45
DHODH Q02127 1/20 0.45
THRB P10828 1/20 0.43
KIF11 P52732 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ACSS2 Q9NR19 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL27908102 0.91 PIN1 (0.53) MAPTKMT2AMEN1NPSR1POLB
SCHEMBL840977 0.83 KCNN4 (0.53) POLBKIF11ALDH1A1TSHRMAPK1
SCHEMBL27605908 0.80 PIN1 (0.53) MAPTKMT2AMEN1NPSR1POLB
Trifluoromethylbenzene SCHEMBL28928434 0.79 ALDH1A1 (0.50) MAPTKMT2AMEN1KDM4ENPSR1
SCHEMBL840195 0.78 MAPK1 (0.45) MAPTKMT2AMEN1KDM4ENPSR1
SCHEMBL5010275 0.77 PIN1 (0.53) MAPTKMT2AMEN1NPSR1POLB
SCHEMBL17583195 0.77 NPSR1 (0.51) MAPTKMT2AMEN1KDM4EHSP90AA1
SCHEMBL1172441 0.77 PIN1 (0.53) MAPTKMT2AMEN1NPSR1POLB
SCHEMBL27546108 0.77 PIN1 (0.53) MAPTKMT2AMEN1KDM4ENPSR1
SCHEMBL28012260 0.77 ALDH1A1 (0.56) MAPTKMT2AMEN1KIF11ALDH1A1

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 8 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
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN 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 MAPT 1455/4885KMT2A 1874/4885MEN1 4121/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MAPT 1455/4885KMT2A 1874/4885MEN1 4121/4885

“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.