SCHEMBL4122375

SCHEMBL4122375

CN(C)Cc1c(OCc2ccccc2C#N)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.40
BCHE P06276 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL4114849 0.92 ACHE (0.40) ACHEBCHEALDH1A1ALOX15PPARG
SCHEMBL4121734 0.91 GPR119 (0.38) ACHETRPM8
SCHEMBL4120572 0.89 ACHE (0.54) ACHEBCHE
Hydrochloric Acid SCHEMBL4131901 0.88 ACHE (0.53) ACHEBCHE
Dimethylamine SCHEMBL4122380 0.88 ACHE (0.41) ACHEBCHEALDH1A1ALOX15HTR2A
SCHEMBL4120897 0.88 ACHE (0.40) ACHEBCHETRPM8HTR2AHTR2C
SCHEMBL4114201 0.88 ACHE (0.48) ACHEBCHE
Fumaric Acid SCHEMBL4130597 0.87 ACHE (0.39) ACHEBCHETRPM8ALDH1A1SLC6A4
Fumaric Acid SCHEMBL4130603 0.87 ACHE (0.39) ACHEBCHETRPM8ALDH1A1SLC6A4
SCHEMBL4126422 0.87 SLC6A4 (0.36) ACHEBCHETRPM8ALDH1A1ALOX15

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 2 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
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 2215/4885TRPM8 1260/4885

“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.