SCHEMBL4120920

SCHEMBL4120920

CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(CC4(C#N)CCCC4)CC3)noc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.39
BCHE P06276 3/20 0.35
SIGMAR1 Q99720 1/20 0.31
HTR4 Q13639 1/20 0.30

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
SCHEMBL4120675 0.99 ACHE (0.39) ACHEBCHESIGMAR1
Hydrochloric Acid SCHEMBL4119567 0.99 ACHE (0.39) ACHEBCHESIGMAR1
Hydrochloric Acid SCHEMBL4127970 0.98 ACHE (0.38) ACHEBCHE
SCHEMBL4120321 0.98 ACHE (0.39) ACHEBCHESIGMAR1HTR4
Hydrochloric Acid SCHEMBL4114483 0.98 ACHE (0.39) ACHEBCHESIGMAR1
SCHEMBL4127311 0.97 ACHE (0.40) ACHEBCHESIGMAR1HTR4
Hydrochloric Acid SCHEMBL4114187 0.96 ACHE (0.40) ACHEBCHESIGMAR1HTR4
SCHEMBL4112451 0.89 ACHE (0.40) ACHEBCHEHTR4
SCHEMBL4120550 0.88 ACHE (0.40) ACHEBCHEHTR4
Hydrochloric Acid SCHEMBL4127641 0.88 ACHE (0.40) ACHEBCHEHTR4

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 3716/4885BCHE 2215/4885SIGMAR1 57/4885

“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.