SCHEMBL4120695

SCHEMBL4120695

CN(C)Cc1c(OC[C@H]2CC[C@@H](O)CC2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KHK P50053 1/20 0.32
TLR9 Q9NR96 3/20 0.32
TLR8 Q9NR97 3/20 0.32
TLR7 Q9NYK1 3/20 0.32
BCHE P06276 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL4120701 1.00 ACHE (0.35) ACHEPIM1PIM2IRAK4KHK
SCHEMBL4116955 0.95 ACHE (0.37) ACHEPIM1PIM2IRAK4KHK
SCHEMBL13597408 0.88 ACHE (0.41) ACHEBCHE
SCHEMBL4121950 0.87 ACHE (0.33) ACHETLR9TLR8TLR7
SCHEMBL4113862 0.87 ACHE (0.42) ACHEBCHE
SCHEMBL4121953 0.87 ACHE (0.33) ACHETLR9TLR8TLR7
SCHEMBL4121955 0.87 ACHE (0.33) ACHETLR9TLR8TLR7
SCHEMBL4113858 0.87 ACHE (0.42) ACHEBCHE
SCHEMBL4125632 0.87 ACHE (0.34) ACHEKHKTLR9TLR8TLR7
SCHEMBL4120446 0.87 CTSS (0.34) ACHEIRAK4KHKTLR9TLR8

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 3 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
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 ACHE 3716/4885PIM1 3069/4885PIM2 3191/4885

“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.