SCHEMBL4121260

SCHEMBL4121260

CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(CCN4CCCC4=O)CC3)noc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.39
LMNA P02545 1/20 0.37
BCHE P06276 4/20 0.37
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR4 Q13639 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
Hydrochloric Acid SCHEMBL4126772 0.99 ACHE (0.39) ACHELMNABCHEHTR1ADRD2
SCHEMBL4126954 0.98 ACHE (0.39) ACHELMNABCHEHTR4
Hydrochloric Acid SCHEMBL4127715 0.97 ACHE (0.38) ACHELMNABCHEHTR4
Dimethylamine SCHEMBL4121265 0.86 ACHE (0.40) ACHELMNABCHEHTR1ADRD2
Dimethylamine SCHEMBL4126778 0.85 ACHE (0.40) ACHELMNABCHE
SCHEMBL13597350 0.85 ACHE (0.46) ACHEBCHEHTR4
SCHEMBL4126004 0.85 ACHE (0.42) ACHEBCHE
SCHEMBL4127158 0.84 ACHE (0.45) ACHEBCHE
SCHEMBL4120022 0.84 ACHE (0.42) ACHEBCHE
Hydrochloric Acid SCHEMBL4136492 0.84 ACHE (0.42) ACHEBCHE

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 ACHE 3716/4885LMNA 3162/4885BCHE 2215/4885

“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.