SCHEMBL2825822

SCHEMBL2825822

CC(CC(F)(F)F)Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MGLL Q99685 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
PAX8 Q06710 1/20 0.30

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
SCHEMBL585722 0.77 MAOA (0.42) MAOAMAOBL3MBTL1SMN1; SMN2SLC6A4
SCHEMBL1453904 0.74 L3MBTL1 (0.45) MAOAMAOBL3MBTL1SMN1; SMN2SLC6A4
SCHEMBL20449068 0.72 MAOA (0.47) MAOAMAOBL3MBTL1SMN1; SMN2SLC6A4
Fluoride SCHEMBL1335974 0.72 MAOA (0.47) MAOAMAOBL3MBTL1SMN1; SMN2SLC6A4
SCHEMBL1721851 0.72 MAOA (0.42) MAOAMAOBL3MBTL1SMN1; SMN2SLC6A4
SCHEMBL9052050 0.72 TRPA1 (0.42) MAOAMAOBL3MBTL1SMN1; SMN2SLC6A4
SCHEMBL1454786 0.72 MAOA (0.42) MAOAMAOBL3MBTL1SMN1; SMN2SLC6A4
SCHEMBL585643 0.72 SMN1; SMN2 (0.39) MAOAMAOBL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8387097 0.71 MAOA (0.61) MAOAMAOBL3MBTL1SMN1; SMN2SLC6A4
SCHEMBL1454709 0.71 MAOA (0.41) MAOAMAOBL3MBTL1SMN1; SMN2SLC6A4

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-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1838308-A1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-10-03 EP disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 US disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 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 (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-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 MAOA 1210/4885MAOB 1113/4885L3MBTL1 1465/4885

“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.