SCHEMBL4113773

SCHEMBL4113773

CN(C)Cc1c(-c2cccc(C#N)c2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
LRRK2 Q5S007 7/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PLAT P00750 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
KDM1A O60341 1/20 0.33
CHRM1 P11229 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PRKCQ Q04759 1/20 0.33
MAP4K1 Q92918 1/20 0.33
CYP3A4 P08684 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 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
SCHEMBL4121333 0.89 ACHE (0.39) ACHEKDM1A
SCHEMBL4112092 0.89 ACHE (0.42) ACHELRRK2PLATCYP1A2CYP2C19
SCHEMBL4126816 0.87 ACHE (0.39) ACHESLC6A4
SCHEMBL4113344 0.87 ACHE (0.44) ACHE
SCHEMBL4121827 0.86 ACHE (0.61) ACHE
Hydrochloric Acid SCHEMBL4114895 0.85 ACHE (0.60) ACHE
SCHEMBL4112608 0.85 ACHE (0.44) ACHELRRK2
Dimethylamine SCHEMBL4113780 0.84 ACHE (0.41) ACHELRRK2PLATCYP1A2CYP2C19
SCHEMBL4136627 0.84 CETP (0.40) ACHE
SCHEMBL4112442 0.83 KDM4E (0.35) ACHECYP1A2CYP2C19HSD17B10KDM1A

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 3782/4885SLC6A2 1758/4885

“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.