SCHEMBL1701115

SCHEMBL1701115

COC(=O)C(Nc1cc(F)c(F)c(F)c1)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
ROCK2 O75116 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTOR P42345 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ANPEP P15144 1/20 0.38
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1695890 0.86 KDM4E (0.56) KDM4EHDAC4HDAC7HDAC5MEN1
SCHEMBL12073041 0.85 HDAC4 (0.45) KDM4EHDAC4HDAC7HDAC5PGR
Hydrochloric Acid SCHEMBL1700922 0.83 HDAC4 (0.44) KDM4EHDAC4HDAC7HDAC5PGR
SCHEMBL10675228 0.80 ROCK2 (0.50) KDM4EHDAC4HDAC7HDAC5ROCK2
SCHEMBL28089884 0.78 ALDH1A1 (0.40) KDM4EMEN1KMT2ACES2CES1
SCHEMBL28089881 0.77 HDAC4 (0.41) KDM4EHDAC4HDAC7HDAC5PGR
SCHEMBL1701044 0.77 CHRM3 (0.53) MAPTALDH1A1
SCHEMBL1701043 0.77 CHRM3 (0.53) MAPTALDH1A1
SCHEMBL1701128 0.77 L3MBTL1 (0.37) KDM4EHDAC4HDAC7HDAC5PGR
SCHEMBL2484626 0.76 KDM4E (0.47) KDM4EHDAC4HDAC7HDAC5PGR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947300-B Alkaloid amino ester derivative and pharmaceutical composition thereof 奇斯药制品公司 2016-09-21 CN disclosed
EP-2585459-B1 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMA SPA (IT) 2015-01-07 EP disclosed
EP-2585459-B1 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMA SPA (IT) 2015-01-07 EP disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
EP-2585459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US 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 (1 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-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, CHRM5, CHRM2 KDM4E 831/4885HDAC4 3239/4885HDAC7 3124/4885

“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.