SCHEMBL4112608

SCHEMBL4112608

CN(C)Cc1c(-c2cccc(C#N)c2)ccc2c(CCC3CCN(CC4OCCO4)CC3)noc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.44
LRRK2 Q5S007 1/20 0.35
BCHE P06276 2/20 0.34
MCHR1 Q99705 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
USP30 Q70CQ3 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
Fumaric Acid SCHEMBL4113071 0.94 ACHE (0.42) ACHELRRK2BCHEMCHR1HRH3
Fumaric Acid SCHEMBL4113063 0.94 ACHE (0.42) ACHELRRK2BCHEMCHR1HRH3
SCHEMBL4113639 0.91 ACHE (0.47) ACHEBCHEUSP30
SCHEMBL4127399 0.88 ACHE (0.45) ACHEBCHE
SCHEMBL4121827 0.87 ACHE (0.61) ACHEBCHE
SCHEMBL4113344 0.87 ACHE (0.44) ACHEBCHEMCHR1HRH3USP30
Hydrochloric Acid SCHEMBL4114895 0.87 ACHE (0.60) ACHEBCHE
Dimethylamine SCHEMBL4112614 0.86 ACHE (0.46) ACHEBCHEUSP30
SCHEMBL4114133 0.86 ACHE (0.39) ACHEBCHE
SCHEMBL4113773 0.85 ACHE (0.40) ACHELRRK2

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 3 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
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 3716/4885LRRK2 3782/4885BCHE 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.