SCHEMBL4114643

SCHEMBL4114643

CN(C)Cc1c(OCc2ccc(F)cc2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 6/20 0.41
SLC6A3 Q01959 6/20 0.41
HTR1A P08908 4/20 0.41
ACHE P22303 2/20 0.38
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
BCHE P06276 1/20 0.32
HTR6 P50406 2/20 0.32
KHK P50053 1/20 0.32
LMNA P02545 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL13966088 0.91 ACHE (0.36) SLC6A4SLC6A2SLC6A3HTR1AACHE
SCHEMBL4121186 0.91 ACHE (0.44) SLC6A4SLC6A2SLC6A3HTR1AACHE
SCHEMBL4112588 0.90 ACHE (0.38) SLC6A4SLC6A2SLC6A3ACHEBCHE
SCHEMBL4126926 0.88 ACHE (0.37) SLC6A4SLC6A2SLC6A3HTR1AACHE
SCHEMBL4125654 0.88 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR1AACHE
SCHEMBL4115125 0.87 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3HTR1AACHE
SCHEMBL4131954 0.86 ACHE (0.42) ACHEL3MBTL1TDP1BCHE
SCHEMBL4127090 0.85 ACHE (0.36) ACHEBCHETLR9TLR8TLR7
SCHEMBL4132948 0.85 PDE3B (0.40) SLC6A4HTR1AACHECNR2BCHE
SCHEMBL4116955 0.85 ACHE (0.37) ACHETDP1BCHEKHKTLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 SLC6A4 1398/4885SLC6A2 1758/4885SLC6A3 1564/4885

“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.