SCHEMBL4127397

SCHEMBL4127397

CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(CCCn4cccn4)CC3)noc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.40
HTR4 Q13639 5/20 0.36
BCHE P06276 2/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 SCHEMBL4113240 0.99 ACHE (0.40) ACHEHTR4BCHEALDH1A1L3MBTL1
SCHEMBL4121676 0.95 ACHE (0.41) ACHEHTR4BCHE
Hydrochloric Acid SCHEMBL4119931 0.95 ACHE (0.41) ACHEHTR4BCHE
SCHEMBL4127762 0.90 ACHE (0.40) ACHEHTR4BCHEALDH1A1
SCHEMBL13597350 0.86 ACHE (0.46) ACHEHTR4BCHE
SCHEMBL4420115 0.85 ACHE (0.41) ACHEHTR4BCHE
SCHEMBL4115594 0.85 ACHE (0.41) ACHEHTR4BCHE
SCHEMBL4115597 0.84 ACHE (0.42) ACHEHTR4BCHE
SCHEMBL4120246 0.84 ACHE (0.51) ACHEHTR4BCHE
Hydrochloric Acid SCHEMBL4121699 0.84 ACHE (0.41) ACHEHTR4BCHE

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 5 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
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 3716/4885HTR4 622/4885BCHE 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.