SCHEMBL5771361

SCHEMBL5771361

O=C(N(CCCc1cnoc1-c1ccc(F)cc1)CCc1cccnc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
DAGLB Q8NCG7 2/20 0.37
DAGLA Q9Y4D2 2/20 0.37
TBXAS1 P24557 7/20 0.37
CYP3A4 P08684 1/20 0.37
PTAFR P25105 4/20 0.36
GRM2 Q14416 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL5773324 0.93 CYP3A4 (0.41) NAMPTTBXAS1CYP3A4PTAFRGAA
SCHEMBL5773874 0.92 MAPT (0.42) NAMPTDAGLBDAGLATBXAS1CYP3A4
SCHEMBL5773577 0.89 NAMPT (0.35) NAMPTDAGLBDAGLAGRM2
SCHEMBL5774478 0.84 HIF1A (0.42) NAMPTTBXAS1CYP3A4
SCHEMBL5771831 0.83 HDAC8 (0.34) NAMPTCYP3A4
SCHEMBL5777440 0.82 HDAC8 (0.35) CYP3A4
SCHEMBL5775722 0.82 GSK3B (0.41) NAMPTDAGLBDAGLA
SCHEMBL5777281 0.81 HDAC8 (0.34) CYP3A4
SCHEMBL5774087 0.80 CNR1 (0.36)
SCHEMBL5774849 0.80 HDAC4 (0.33)

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR NAMPT 2451/4885DAGLB 3027/4885DAGLA 2703/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NAMPT 2378/4885DAGLB 2102/4885DAGLA 1568/4885

“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.