SCHEMBL5777440

SCHEMBL5777440

CN(C)CCN(CCCc1cnoc1-c1ccc(F)cc1)C(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.35
HDAC4 P56524 1/20 0.33
PLA2G7 Q13093 2/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ROCK2 O75116 1/20 0.32
PPARA Q07869 1/20 0.32
MCHR1 Q99705 1/20 0.31
HTR5A P47898 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
CENPE Q02224 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL5776662 0.91 TRPV1 (0.37) HDAC8HDAC4PLA2G7CYP3A4SMN1; SMN2
SCHEMBL5775799 0.89 HDAC8 (0.34) HDAC8PLA2G7PPARA
SCHEMBL5775533 0.88 HDAC8 (0.33) HDAC8HDAC4PLA2G7PPARAMCHR1
SCHEMBL5774897 0.88 MPO (0.35) HDAC8HDAC4PLA2G7CYP3A4
SCHEMBL5774087 0.87 CNR1 (0.36) HDAC8PPARAHCRTR1HCRTR2
SCHEMBL5777281 0.85 HDAC8 (0.34) HDAC8CYP3A4KDM4E
SCHEMBL5773577 0.85 NAMPT (0.35) HDAC8HDAC4
SCHEMBL5773350 0.83 TSHR (0.40) PLA2G7CYP3A4
SCHEMBL5773778 0.83 PLA2G7 (0.36) HDAC8HDAC4PLA2G7CYP3A4KDM4E
SCHEMBL5774849 0.83 HDAC4 (0.33) HDAC8HDAC4KDM4EHCRTR1HCRTR2

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 HDAC8 639/4885HDAC4 434/4885PLA2G7 2423/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HDAC8 569/4885HDAC4 497/4885PLA2G7 1986/4885

“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.