SCHEMBL4127400

SCHEMBL4127400

O=C(NCc1ccc2c(CCC3CCN(C(=O)O)CC3)noc2c1CO)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
CHRM4 P08173 2/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 2/20 0.36
KCNH2 Q12809 1/20 0.35
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
CCR3 P51677 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
SCHEMBL4126753 0.92 ACHE (0.38) ACHECHRM4LMNAHTTSMN1; SMN2
SCHEMBL4115154 0.89 KDM4E (0.45) LMNAHTTSMN1; SMN2
Dimethylamine SCHEMBL4126760 0.89 ACHE (0.39) ACHECHRM4LMNAHTTSMN1; SMN2
SCHEMBL4126138 0.87 ACHE (0.35) ACHECHRM4BCHEKCNH2HTR2A
SCHEMBL4124592 0.86 ACHE (0.40) ACHEBCHE
SCHEMBL4126790 0.86 ACHE (0.39) ACHELMNAHTTSMN1; SMN2BCHE
SCHEMBL4131426 0.82 KDM4E (0.43) LMNASMN1; SMN2
SCHEMBL4114395 0.82 ACHE (0.52) ACHECHRM4BCHE
Hydrochloric Acid SCHEMBL4121978 0.81 ACHE (0.51) ACHECHRM4BCHE
SCHEMBL4126380 0.81 ACHE (0.43) 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 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 3716/4885CHRM4 234/4885LMNA 3162/4885

“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.