SCHEMBL4112600

SCHEMBL4112600

CN(C)Cc1c(Oc2ccc(C#N)cc2)ccc2c(CCC3CCN(CC4OCCO4)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.42
SIGMAR1 Q99720 1/20 0.36
SLC6A4 P31645 1/20 0.34
BCHE P06276 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRM4 P08173 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 SCHEMBL4133097 0.99 ACHE (0.41) ACHESIGMAR1SLC6A4BCHEMAOA
Fumaric Acid SCHEMBL4121852 0.94 ACHE (0.40) ACHESIGMAR1BCHECHRM4
Fumaric Acid SCHEMBL4121845 0.94 ACHE (0.40) ACHESIGMAR1BCHECHRM4
SCHEMBL4125111 0.90 ACHE (0.42) ACHESIGMAR1BCHEMAOAMAOB
SCHEMBL4121674 0.90 ACHE (0.42) ACHEBCHE
SCHEMBL13597672 0.87 ACHE (0.42) ACHESIGMAR1SLC6A4BCHEMAOA
Dimethylamine SCHEMBL4112605 0.87 ACHE (0.42) ACHESIGMAR1SLC6A4BCHEMAOA
SCHEMBL4126868 0.87 ACHE (0.42) ACHESLC6A4BCHEHRH3
SCHEMBL4119755 0.86 ACHE (0.60) ACHEBCHEHRH3
Dimethylamine SCHEMBL4133100 0.86 ACHE (0.42) ACHESIGMAR1SLC6A4BCHEMAOA

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 3716/4885SIGMAR1 57/4885SLC6A4 1398/4885

“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.