SCHEMBL4121129

SCHEMBL4121129

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(-c4cccc(C#N)c4)ccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.41
ACHE P22303 1/20 0.41
NOTCH1 P46531 1/20 0.39
GPR119 Q8TDV5 8/20 0.39
FAAH O00519 1/20 0.38
ALK Q9UM73 1/20 0.38
USP30 Q70CQ3 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
MCHR1 Q99705 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL4136627 0.93 CETP (0.40) CETPACHENOTCH1GPR119FAAH
SCHEMBL4120665 0.91 CETP (0.39) CETPACHENOTCH1GPR119FAAH
SCHEMBL4134842 0.89 ACHE (0.46) ACHEUSP30MGLL
SCHEMBL4120792 0.89 KDM4E (0.44) ACHEGPR119FAAH
Dimethylamine SCHEMBL4136631 0.89 CETP (0.44) CETPACHENOTCH1GPR119FAAH
SCHEMBL4122438 0.85 ACHE (0.42) CETPACHENOTCH1GPR119FAAH
SCHEMBL4114200 0.85 GPR119 (0.46) ACHEGPR119FAAH
SCHEMBL4136573 0.85 GPR119 (0.49) GPR119FAAHUSP30
SCHEMBL4125607 0.85 GPR119 (0.46) CETPACHEGPR119JAK2JAK3
SCHEMBL4120661 0.85 CETP (0.41) CETPACHENOTCH1GPR119FAAH

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 3 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
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 CETP 3157/4885ACHE 3716/4885NOTCH1 3320/4885

“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.