SCHEMBL5481957

SCHEMBL5481957

O=C(O)NCc1cc(F)cc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.45
RIPK1 Q13546 8/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
METAP2 P50579 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
P2RX7 Q99572 2/20 0.35
WDR5 P61964 1/20 0.35

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
SCHEMBL29788838 0.84 RIPK1 (0.46) CHRM4RIPK1CES2CES1ROCK2
SCHEMBL29912695 0.80 RIPK1 (0.54) CHRM4RIPK1CES2CES1ROCK2
SCHEMBL17882240 0.80 RIPK1 (0.54) CHRM4RIPK1CES2CES1ROCK2
SCHEMBL5016350 0.79 RIPK1 (0.40) CHRM4RIPK1CES2CES1ROCK2
SCHEMBL4574550 0.79 RIPK1 (0.42) CHRM4RIPK1CES2CES1ROCK2
SCHEMBL29068639 0.79 ALDH1A1 (0.51) RIPK1CES2CES1ROCK2ROCK1
SCHEMBL28170731 0.78 HPGD (0.44) CHRM4RIPK1
SCHEMBL3568253 0.78 P2RX7 (0.53) ALDH1A1P2RX7
SCHEMBL3562274 0.78 ALDH1A1 (0.48) CHRM4RIPK1CES2CES1ROCK2
SCHEMBL12366161 0.77 RIPK1 (0.38) CHRM4RIPK1CES2CES1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP claimed
JP-2007507447-A 2007-03-29 JP claimed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US claimed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP claimed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO claimed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 US claimed
CN-115197098-B Cell necrosis inhibitor 北京生命科学研究所 2023-08-08 CN disclosed
CN-115197098-A Cell necrosis inhibitor 北京生命科学研究所 2022-10-18 CN disclosed
CN-107108467-B Cell necrosis inhibitor 北京生命科学研究所 2022-08-19 CN disclosed
EP-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP disclosed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 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-20050075327-A1 Carbamic acid alkyl ester derivatives BCHE, CHRM1, ADCY7 CHRM4 19/4885RIPK1 3711/4885CES2 53/4885

“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.