SCHEMBL4113344

SCHEMBL4113344

CN(C)Cc1c(-c2cccc(C#N)c2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.44
USP30 Q70CQ3 3/20 0.37
BCHE P06276 3/20 0.37
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
MCHR1 Q99705 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MGLL Q99685 1/20 0.35
CHRM4 P08173 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34

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
SCHEMBL4134842 0.91 ACHE (0.46) ACHEUSP30BCHEMAP3K7TAB1
SCHEMBL4134379 0.90 ACHE (0.43) ACHEBCHESCD5
SCHEMBL4136627 0.90 CETP (0.40) ACHEUSP30MCHR1
SCHEMBL4121160 0.89 ACHE (0.43) ACHEBCHE
SCHEMBL4121827 0.88 ACHE (0.61) ACHEBCHE
SCHEMBL4130230 0.87 ACHE (0.42) ACHEUSP30BCHEMAP3K7TAB1
Hydrochloric Acid SCHEMBL4114895 0.87 ACHE (0.60) ACHEBCHE
SCHEMBL4112608 0.87 ACHE (0.44) ACHEUSP30BCHEMCHR1HRH3
SCHEMBL4113773 0.87 ACHE (0.40) ACHE
Dimethylamine SCHEMBL4113352 0.87 ACHE (0.45) ACHEUSP30BCHEMAP3K7TAB1

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 2 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
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 3716/4885USP30 4343/4885BCHE 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.