SCHEMBL18587769

SCHEMBL18587769

CN1CC(=O)N(Cc2ccc(F)c(Br)c2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
KDM4E B2RXH2 3/20 0.46
ADORA2A P29274 1/20 0.45
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.40
CLPP Q16740 1/20 0.40
ABCC9 O60706 3/20 0.39
ABCC8 Q09428 3/20 0.39
KCNJ11 Q14654 3/20 0.39
KCNJ8 Q15842 3/20 0.39
FAAH O00519 1/20 0.39
PARP1 P09874 4/20 0.36
PARP2 Q9UGN5 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL18587633 0.76 GRM2 (0.33) TSHRPARP1PARP2
SCHEMBL16897757 0.75 L3MBTL1 (0.53) MAOBKDM4EADORA2AALDH1A1TSHR
SCHEMBL13946701 0.74 SMN1; SMN2 (0.47) ALDH1A1HDAC6
SCHEMBL4184898 0.73 KDM4E (0.53) MAOBKDM4EADORA2AALDH1A1TSHR
SCHEMBL18587587 0.73 ERCC1 (0.36) ALDH1A1
SCHEMBL16085590 0.72 KMT2A (0.49) ALDH1A1TSHRKCNH2HDAC6
SCHEMBL29468844 0.69 KDM4E (0.68) KDM4EALDH1A1FAAHHDAC6
SCHEMBL414890 0.69 KDM4E (0.68) KDM4EALDH1A1FAAHHDAC6
SCHEMBL13952244 0.68 KDM4E (0.40) MAOBKDM4EADORA2AALDH1A1TSHR
SCHEMBL4235168 0.67 KDM4E (0.40) MAOBKDM4EADORA2AFAAH

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
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
EP-3344619-A1 PHENOXYMETHYL DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-07-11 EP disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 WO disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 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 (4 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 MAOB 3599/4885KDM4E 296/4885ADORA2A 1684/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 MAOB 3599/4885KDM4E 296/4885ADORA2A 1684/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 MAOB 3599/4885KDM4E 296/4885ADORA2A 1684/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 MAOB 3599/4885KDM4E 296/4885ADORA2A 1684/4885

“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.