SCHEMBL4121533

SCHEMBL4121533

CNCc1c(OCc2ccc(F)cc2)ccc2c(CCC3CCN(CC4OCCO4)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.42
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
BCHE P06276 2/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4121790 0.99 ACHE (0.42) ACHELMNAHTR2AHTR2CSLC6A4
SCHEMBL4120561 0.92 ACHE (0.49) ACHEBCHE
SCHEMBL4125086 0.91 ACHE (0.43) ACHEBCHE
SCHEMBL4120560 0.89 ACHE (0.42) ACHEBCHE
Bromide SCHEMBL4126293 0.89 ACHE (0.42) ACHEBCHE
Fumaric Acid SCHEMBL4133410 0.88 ACHE (0.48) ACHEBCHE
Fumaric Acid SCHEMBL4133413 0.88 ACHE (0.48) ACHEBCHE
SCHEMBL4121537 0.86 ACHE (0.44) ACHEBCHE
Hydrochloric Acid SCHEMBL4121792 0.85 ACHE (0.43) ACHEBCHE
SCHEMBL4121065 0.82 ACHE (0.50) 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 6 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 claimed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP claimed
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 3716/4885LMNA 3162/4885HTR2A 1251/4885

“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.