SCHEMBL4136627

SCHEMBL4136627

CN(C)Cc1c(-c2cccc(C#N)c2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.40
ACHE P22303 1/20 0.40
GPR119 Q8TDV5 10/20 0.39
NOTCH1 P46531 1/20 0.38
MCHR1 Q99705 1/20 0.38
FAAH O00519 1/20 0.37
ALK Q9UM73 1/20 0.37
USP30 Q70CQ3 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
SCHEMBL4121129 0.93 CETP (0.41) CETPACHEGPR119NOTCH1MCHR1
SCHEMBL4125607 0.91 GPR119 (0.46) CETPACHEGPR119
SCHEMBL4113344 0.90 ACHE (0.44) ACHEMCHR1USP30
SCHEMBL4120665 0.89 CETP (0.39) CETPACHEGPR119NOTCH1MCHR1
SCHEMBL13596326 0.89 KDM4E (0.42) ACHEGPR119FAAHUSP30
Dimethylamine SCHEMBL4136631 0.88 CETP (0.44) CETPACHEGPR119NOTCH1MCHR1
SCHEMBL4129872 0.86 ACHE (0.41) CETPACHEGPR119NOTCH1MCHR1
SCHEMBL4120522 0.86 GPR119 (0.46) GPR119FAAH
SCHEMBL4129621 0.85 GPR119 (0.47) GPR119FAAHUSP30
SCHEMBL4112608 0.84 ACHE (0.44) ACHEMCHR1USP30

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 3716/4885GPR119 122/4885

“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.