SCHEMBL4132948

SCHEMBL4132948

CN(C)Cc1c(OCc2cccnc2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ACHE P22303 2/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
PTAFR P25105 2/20 0.38
HTR6 P50406 1/20 0.37
PRKDC P78527 3/20 0.37
CNR2 P34972 1/20 0.36
SLC6A4 P31645 1/20 0.35
PIK3CD O00329 2/20 0.34
P2RY12 Q9H244 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL4121186 0.91 ACHE (0.44) ACHESLC6A4BCHEHTR1A
SCHEMBL4115251 0.86 ACHE (0.56) ACHEBCHE
Hydrochloric Acid SCHEMBL4127136 0.86 ACHE (0.55) ACHEBCHE
SCHEMBL13966088 0.85 ACHE (0.36) ACHEMAP4K3SLC6A4BCHEHTR1A
SCHEMBL4114643 0.85 SLC6A4 (0.41) ACHEHTR6CNR2SLC6A4BCHE
SCHEMBL4125188 0.85 ACHE (0.43) ACHEPRKDCPIK3CDP2RY12PIK3CA
SCHEMBL4115142 0.85 ACHE (0.39) PDE3AACHEMAP4K3PRKDCCNR2
SCHEMBL4115114 0.85 ACHE (0.33) ACHEBCHE
SCHEMBL4121451 0.85 HTR6 (0.45) ACHEHTR6SLC6A4BCHE
SCHEMBL4121137 0.84 ACHE (0.44) 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 PDE3B 3232/4885PDE3A 3949/4885CHRNB2 623/4885

“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.