SCHEMBL4125583

SCHEMBL4125583

CN(C)Cc1cc(OCc2ccc(C#N)cc2)cc2c(CCC3CCNCC3)noc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
HRH3 Q9Y5N1 1/20 0.36
KDM1A O60341 6/20 0.36
MAOB P27338 6/20 0.35
MAOA P21397 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 3/20 0.34
AKT1 P31749 1/20 0.34
HTR3A P46098 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
SCHEMBL4121471 0.87 ACHE (0.41) ACHEKDM1AMAOBMAOAKCNH2
SCHEMBL4127914 0.86 ACHE (0.57) ACHE
Hydrochloric Acid SCHEMBL4126012 0.85 ACHE (0.57) ACHE
SCHEMBL4126687 0.85 GPR119 (0.46) ACHE
Dimethylamine SCHEMBL4125591 0.85 ACHE (0.39) ACHEHRH3KDM1AMAOBMAOA
SCHEMBL4112588 0.82 ACHE (0.38) ACHEHRH3KDM1AMAOBSLC6A2
SCHEMBL13596091 0.82 ACHE (0.40) ACHESLC6A4
SCHEMBL4122623 0.81 ACHE (0.37) ACHEKDM1AMAOBSLC6A2SLC6A4
Dimethylamine SCHEMBL4112593 0.77 ACHE (0.39) ACHEHRH3KDM1AMAOBAKT1
SCHEMBL4125187 0.76 SLC6A4 (0.39) ACHEHRH3KDM1AMAOBSLC6A2

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 3716/4885HRH3 317/4885KDM1A 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.