SCHEMBL4120897

SCHEMBL4120897

CN(C)Cc1c(OCc2ccccc2C#N)ccc2c(CCC3CCN(CC4OCCO4)CC3)noc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.40
BCHE P06276 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
MET P08581 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
Fumaric Acid SCHEMBL4130597 0.95 ACHE (0.39) ACHEBCHESLC6A4TRPM8MET
Fumaric Acid SCHEMBL4130603 0.95 ACHE (0.39) ACHEBCHESLC6A4TRPM8MET
SCHEMBL4120572 0.88 ACHE (0.54) ACHEBCHE
Hydrochloric Acid SCHEMBL4131901 0.88 ACHE (0.53) ACHEBCHE
SCHEMBL4122375 0.88 ACHE (0.40) ACHEBCHEHTR2AHTR2CSLC6A4
Dimethylamine SCHEMBL4120903 0.88 ACHE (0.41) ACHEBCHEHTR2AHTR2CSLC6A4
SCHEMBL4116410 0.87 ACHE (0.49) ACHEBCHE
SCHEMBL4125111 0.87 ACHE (0.42) ACHEBCHE
SCHEMBL4127515 0.86 ACHE (0.45) ACHEBCHETRPM8MET
SCHEMBL4121291 0.86 ACHE (0.42) 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 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 3716/4885BCHE 2215/4885HTR2A 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.