SCHEMBL4126954

SCHEMBL4126954

CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(CCN4CCCCC4=O)CC3)noc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.39
BCHE P06276 4/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 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 SCHEMBL4127715 0.99 ACHE (0.38) ACHEBCHELMNACYP2D6HTR4
SCHEMBL4121260 0.98 ACHE (0.39) ACHEBCHELMNAHTR4
Hydrochloric Acid SCHEMBL4126772 0.97 ACHE (0.39) ACHEBCHELMNAHTR4
Dimethylamine SCHEMBL4126958 0.86 ACHE (0.40) ACHEBCHELMNACYP2D6
Dimethylamine SCHEMBL4127720 0.85 ACHE (0.39) ACHEBCHELMNACYP2D6
SCHEMBL13597350 0.84 ACHE (0.46) ACHEBCHEHTR4
SCHEMBL4126004 0.84 ACHE (0.42) ACHEBCHE
SCHEMBL4127158 0.84 ACHE (0.45) ACHEBCHE
Dimethylamine SCHEMBL4121265 0.84 ACHE (0.40) ACHEBCHELMNA
SCHEMBL4120022 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 3716/4885BCHE 2215/4885LMNA 3162/4885

“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.