SCHEMBL16031895

SCHEMBL16031895

FC(F)COc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SOD1 P00441 1/20 0.45
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL3934890 0.86 MAOB (0.49) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL2794321 0.81 MAOB (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL4349792 0.81 MAOB (0.55) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL5485783 0.81 MAOB (0.55) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL14241245 0.80 MAOB (0.50) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL31168037 0.79 SOD1 (0.39) MAOBSOD1
SCHEMBL14027336 0.79 ALDH1A1 (0.54) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL4164639 0.78 HCRTR1 (0.42) MAOBALDH1A1
SCHEMBL9324039 0.78 MAOB (0.51) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL19384259 0.78 LMNA (0.61) MAOBHSD17B10ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 MAOB 3305/4885RAB9A 3327/4885HTT 205/4885

“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.