SCHEMBL4112092

SCHEMBL4112092

N#Cc1cccc(-c2ccc3c(CCC4CCNCC4)noc3c2CO)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
PLAT P00750 1/20 0.35
KDM1A O60341 4/20 0.35
MAOB P27338 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LRRK2 Q5S007 5/20 0.34
MAP4K1 Q92918 1/20 0.33
MET P08581 1/20 0.33
USP30 Q70CQ3 2/20 0.33
BCHE P06276 1/20 0.33
PDE4D Q08499 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
SCHEMBL4113773 0.89 ACHE (0.40) ACHEPLATKDM1ACYP1A2CYP2C19
SCHEMBL4132482 0.88 ACHE (0.41) ACHEBCHE
SCHEMBL4134842 0.86 ACHE (0.46) ACHEUSP30BCHE
SCHEMBL4113639 0.85 ACHE (0.47) ACHEMETUSP30BCHE
Dimethylamine SCHEMBL4113780 0.85 ACHE (0.41) ACHEPLATKDM1ACYP1A2CYP2C19
SCHEMBL4115246 0.83 KDM1A (0.36) ACHEPLATKDM1AMAOBCYP1A2
SCHEMBL4121129 0.82 CETP (0.41) ACHEUSP30
SCHEMBL4121333 0.79 ACHE (0.39) ACHEKDM1AMAOB
SCHEMBL13597446 0.78 ACHE (0.45) ACHEKDM1AMAOBBCHE
SCHEMBL4113344 0.78 ACHE (0.44) ACHEUSP30BCHE

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 3716/4885PLAT 4843/4885KDM1A 1437/4885

“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.