SCHEMBL4129693

SCHEMBL4129693

CN(Cc1c(OCC2CC2)ccc2c(CCC3CCN(c4cccnn4)CC3)noc12)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.35
GPR119 Q8TDV5 1/20 0.32
ACACB O00763 3/20 0.32
ACACA Q13085 3/20 0.32
BCHE P06276 2/20 0.32
CSF1R P07333 1/20 0.31
HTR2C P28335 5/20 0.31
SLC6A4 P31645 5/20 0.31
AAK1 Q2M2I8 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL4127857 0.89 MEN1 (0.35) ACHEACACBACACABCHEHTR2C
SCHEMBL4130389 0.88 ACHE (0.39) ACHEBCHE
Fumaric Acid SCHEMBL4127747 0.86 ACHE (0.38) ACHEACACBACACABCHE
Fumaric Acid SCHEMBL4127742 0.86 ACHE (0.38) ACHEACACBACACABCHE
SCHEMBL4121348 0.83 ACHE (0.41) ACHEBCHE
SCHEMBL4121344 0.82 ACHE (0.39) ACHEBCHE
Fumaric Acid SCHEMBL4113735 0.81 ACHE (0.40) ACHEBCHE
Fumaric Acid SCHEMBL4113738 0.81 ACHE (0.40) ACHEBCHE
Fumaric Acid SCHEMBL4113730 0.81 ACHE (0.40) ACHEBCHE
SCHEMBL4126281 0.80 CSF1R (0.42) ACHEGPR119CSF1R

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 3716/4885GPR119 122/4885ACACB 3210/4885

“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.