SCHEMBL5774087

SCHEMBL5774087

CN(CCCN(CCCc1cnoc1-c1ccc(F)cc1)C(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
CACNA1B Q00975 1/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
PPARG P37231 2/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CNR2 P34972 1/20 0.33
SCN9A Q15858 1/20 0.33
PPARA Q07869 2/20 0.32
PPARD Q03181 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
FAAH O00519 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL5907124 0.91 FAAH (0.36) CNR1CACNA1BNR1H2NR1H3PPARG
SCHEMBL5777440 0.87 HDAC8 (0.35) HDAC8PPARAHCRTR1HCRTR2
SCHEMBL5774849 0.85 HDAC4 (0.33) HDAC8HCRTR1HCRTR2FAAH
SCHEMBL5777281 0.83 HDAC8 (0.34) HDAC8
SCHEMBL5775799 0.82 HDAC8 (0.34) HDAC8PPARA
Trifluoroacetic Acid SCHEMBL5774082 0.82 ACKR3 (0.42) CNR1ALOX15TSHRHDAC8
SCHEMBL5775533 0.82 HDAC8 (0.33) HDAC8PPARA
SCHEMBL5773577 0.80 NAMPT (0.35) HDAC8
SCHEMBL5774678 0.80 MAPT (0.42) ALOX15TSHR
SCHEMBL5771361 0.80 NAMPT (0.42)

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 CNR1 927/4885CACNA1B 2490/4885NR1H2 51/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CNR1 502/4885CACNA1B 2018/4885NR1H2 131/4885

“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.