SCHEMBL4126422

SCHEMBL4126422

CN(C)Cc1c(OCc2ccccc2C#N)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 3/20 0.36
ACHE P22303 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALOX15 P16050 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
SCHEMBL4122375 0.87 ACHE (0.40) SLC6A4ACHETRPM8HTR2AHTR2C
SCHEMBL4120572 0.86 ACHE (0.54) ACHEBCHE
Dimethylamine SCHEMBL4126427 0.86 SLC6A4 (0.39) SLC6A4SLC6A2ACHEHTR2AHTR2C
SCHEMBL4112588 0.86 ACHE (0.38) SLC6A4SLC6A2ACHETRPM8BCHE
SCHEMBL4121186 0.86 ACHE (0.44) SLC6A4SLC6A2ACHEBCHESLC6A3
Hydrochloric Acid SCHEMBL4131901 0.86 ACHE (0.53) ACHEBCHE
SCHEMBL4120897 0.85 ACHE (0.40) SLC6A4ACHETRPM8HTR2AHTR2C
SCHEMBL4121451 0.85 HTR6 (0.45) SLC6A4SLC6A2ACHETRPM8BCHE
SCHEMBL4121734 0.84 GPR119 (0.38) ACHETRPM8
SCHEMBL4126469 0.84 ACHE (0.32) ACHE

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 SLC6A4 1398/4885SLC6A2 1758/4885ACHE 3716/4885

“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.