SCHEMBL4112588

SCHEMBL4112588

CN(C)Cc1c(OCc2ccc(C#N)cc2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
KDM1A O60341 5/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MAOB P27338 3/20 0.32
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BCHE P06276 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
KHK P50053 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
SCHEMBL4115114 0.90 ACHE (0.33) ACHEBCHE
SCHEMBL4121451 0.90 HTR6 (0.45) ACHESLC6A2SLC6A4TRPM8MAOB
SCHEMBL4114643 0.90 SLC6A4 (0.41) ACHESLC6A2SLC6A4HTR6BCHE
SCHEMBL13966088 0.90 ACHE (0.36) ACHESLC6A2SLC6A4BCHESLC6A3
SCHEMBL4121186 0.90 ACHE (0.44) ACHESLC6A2SLC6A4BCHESLC6A3
SCHEMBL4132239 0.89 ACHE (0.40) ACHEKDM1ASLC6A2SLC6A4HRH3
SCHEMBL4125187 0.89 SLC6A4 (0.39) ACHEKDM1ASLC6A2SLC6A4HRH3
SCHEMBL4112441 0.87 ACHE (0.42) ACHEKDM1ATRPM8BCHE
SCHEMBL4126469 0.86 ACHE (0.32) ACHE
SCHEMBL4126422 0.86 SLC6A4 (0.36) ACHESLC6A2SLC6A4TRPM8MAOB

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 3716/4885KDM1A 1437/4885SLC6A2 1758/4885

“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.