SCHEMBL4132239

SCHEMBL4132239

N#Cc1ccc(COc2ccc3c(CCC4CCNCC4)noc3c2CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KDM1A O60341 10/20 0.35
MAOB P27338 4/20 0.33
BCHE P06276 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
AKT1 P31749 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32

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
SCHEMBL4125654 0.89 SLC6A4 (0.43) ACHEKDM4EBCHESLC6A2SLC6A4
SCHEMBL4112588 0.89 ACHE (0.38) ACHEKDM4EALDH1A1POLBHPGD
SCHEMBL4124707 0.87 ACHE (0.44) ACHEKDM4EALDH1A1POLBHPGD
SCHEMBL4122127 0.85 ACHE (0.44) ACHEKDM4EALDH1A1POLBHPGD
Dimethylamine SCHEMBL4112593 0.85 ACHE (0.39) ACHEKDM4EALDH1A1POLBHPGD
SCHEMBL4118988 0.85 ACHE (0.37) ACHEHRH3BCHE
SCHEMBL4120919 0.83 GPR119 (0.44) ACHE
SCHEMBL13596010 0.81 ACHE (0.46) ACHEHRH3BCHESLC6A4
SCHEMBL4115114 0.79 ACHE (0.33) ACHEBCHE
SCHEMBL4121451 0.79 HTR6 (0.45) ACHEMAOBBCHESLC6A2SLC6A4

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 3716/4885KDM4E 3136/4885ALDH1A1 858/4885

“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.