SCHEMBL5772881

SCHEMBL5772881

CC1(C)CC(N(CCCc2cnoc2-c2ccc(F)cc2)C(=O)C(F)(F)F)CC(C)(C)N1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL5776141 0.94 TRPV1 (0.37) TRPV1
Trifluoroacetic Acid SCHEMBL5772877 0.76 HTT (0.39) KDM4EMEN1KMT2A
SCHEMBL5777440 0.75 HDAC8 (0.35) HDAC8HCRTR1HCRTR2KDM4ESMN1; SMN2
SCHEMBL5771833 0.75 DRD2 (0.42) KDM4E
SCHEMBL5775533 0.74 HDAC8 (0.33) HDAC8
SCHEMBL5773350 0.74 TSHR (0.40) ALDH1A1
SCHEMBL5774897 0.74 MPO (0.35) HDAC8ALDH1A1KMT2A
SCHEMBL5773778 0.74 PLA2G7 (0.36) HDAC8KCNH2KDM4EALDH1A1
SCHEMBL5771067 0.73 HDAC8 (0.35) HDAC8
SCHEMBL5775799 0.73 HDAC8 (0.34) HDAC8

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 639/4885HCRTR1 284/4885HCRTR2 269/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HDAC8 569/4885HCRTR1 965/4885HCRTR2 1199/4885

“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.