SCHEMBL4120928

SCHEMBL4120928

C/C=C/c1c(N(C)Cc2ccc(C#N)cc2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
HRH3 Q9Y5N1 1/20 0.33
NMT1 P30419 2/20 0.32
KHK P50053 1/20 0.32
KDM1A O60341 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL4120266 1.00 ACHE (0.38) ACHESLC6A2SLC6A4HRH3NMT1
SCHEMBL4120262 1.00 ACHE (0.38) ACHESLC6A2SLC6A4HRH3NMT1
SCHEMBL4134466 0.85 ACHE (0.42) ACHEMAOAMAOBBCHE
SCHEMBL4132606 0.85 ACHE (0.42) ACHEMAOAMAOBBCHE
SCHEMBL13596076 0.84 ACHE (0.35) ACHESLC6A4HRH3NMT1KHK
SCHEMBL4136758 0.84 GPR119 (0.38) ACHE
SCHEMBL4126669 0.84 GPR119 (0.38) ACHE
SCHEMBL4122328 0.77 ACHE (0.42) ACHEMAOAMAOBBCHE
SCHEMBL13596028 0.74 ACHE (0.45) ACHESLC6A4HRH3KHKBCHE
SCHEMBL4112880 0.74 ACHE (0.37) ACHESLC6A2SLC6A4HRH3KHK

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.