SCHEMBL4680982

SCHEMBL4680982

CC[C@H](C)Oc1c(F)cc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
FPR2 P25090 1/20 0.32
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
AEBP2 Q6ZN18 1/20 0.32
SLC6A4 P31645 1/20 0.31
APLNR P35414 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL28460846 0.82 MAPT (0.41) MAPTMAPK1HTTKMT2ANPSR1
SCHEMBL16335705 0.82 MAPT (0.41) MAPTMAPK1HTTKMT2ANPSR1
SCHEMBL13088048 0.82
SCHEMBL16334852 0.82 MAPT (0.41) MAPTMAPK1HTTKMT2ANPSR1
SCHEMBL14723884 0.81 SHBG (0.31)
SCHEMBL3067794 0.79 FAAH (0.36) MAPTMAPK1HTTKMT2ANPSR1
SCHEMBL4679617 0.78 GAA (0.34) FFAR4
SCHEMBL24533487 0.78 KDM4E (0.36) MAPTHTTSLC6A4FFAR4
SCHEMBL4679626 0.77 MAPK1 (0.40) MAPTMAPK1HTTKMT2AFFAR4
SCHEMBL16334625 0.74 THRA (0.40) MAPTMAPK1HTTFPR2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549640-A4 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2008-08-06 EP disclosed
US-7199142-B2 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. (US) 2007-04-03 US disclosed
US-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
EP-1670463-A2 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-06-21 EP disclosed
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. 2005-11-03 US disclosed
EP-1549640-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-07-06 EP disclosed
WO-2005032465-A2 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-04-14 WO disclosed
WO-2004035538-A1 PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID MERCK & CO., INC. (US) 2004-04-29 WO disclosed
WO-2003105771-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-12-24 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 (2 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-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists S1PR3, S1PR1, S1PR5 MAPT 4771/4885MAPK1 2150/4885HTT 4766/4885
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists EDNRA, OXGR1, EDNRB MAPT 3715/4885MAPK1 1905/4885HTT 4466/4885

“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.