SCHEMBL4122623

SCHEMBL4122623

CN(C)Cc1c(COc2ccc(C#N)cc2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM1A O60341 11/20 0.35
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAOB P27338 2/20 0.33
AKT1 P31749 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
SCHEMBL4131487 0.90 ACHE (0.34) ACHEKDM1AMAOB
SCHEMBL4125187 0.88 SLC6A4 (0.39) ACHESLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL4120895 0.87 ACHE (0.41) ACHEKDM1A
SCHEMBL4112588 0.85 ACHE (0.38) ACHESLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL4120942 0.85 ACHE (0.58) ACHE
Hydrochloric Acid SCHEMBL4120447 0.84 ACHE (0.57) ACHE
Dimethylamine SCHEMBL4122630 0.84 ACHE (0.38) ACHESLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL4121333 0.84 ACHE (0.39) ACHEKDM1AMAOBAKT1
SCHEMBL4131933 0.84 ACHE (0.35) ACHESLC6A2SLC6A4
SCHEMBL4115062 0.83 ACHE (0.46) ACHE

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 3716/4885SLC6A2 1758/4885SLC6A4 1398/4885

“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.