SCHEMBL4121186

SCHEMBL4121186

CN(C)Cc1c(OCc2ccccc2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.44
BCHE P06276 1/20 0.40
HTR1A P08908 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KHK P50053 1/20 0.36

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
SCHEMBL4121137 0.92 ACHE (0.44) ACHEBCHEKHK
SCHEMBL13966088 0.91 ACHE (0.36) ACHEBCHEHTR1ASLC6A2SLC6A4
SCHEMBL4114643 0.91 SLC6A4 (0.41) ACHEBCHEHTR1ASLC6A2SLC6A4
SCHEMBL4132948 0.91 PDE3B (0.40) ACHEBCHEHTR1ASLC6A4
SCHEMBL4112588 0.90 ACHE (0.38) ACHEBCHESLC6A2SLC6A4SLC6A3
SCHEMBL4115142 0.89 ACHE (0.39) ACHEBCHESLC6A4
SCHEMBL4121451 0.88 HTR6 (0.45) ACHEBCHESLC6A2SLC6A4SLC6A3
SCHEMBL4115125 0.87 SLC6A4 (0.42) ACHEBCHEHTR1ASLC6A2SLC6A4
SCHEMBL4116955 0.87 ACHE (0.37) ACHEBCHEKHK
SCHEMBL4127330 0.87 ACHE (0.62) ACHEBCHE

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 4 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
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 3716/4885BCHE 2215/4885HTR1A 422/4885

“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.