SCHEMBL5774056

SCHEMBL5774056

O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)CCCN(CCO)CCO)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.38
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
FAAH O00519 1/20 0.33
LSS P48449 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SLC9A5 Q14940 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32

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
SCHEMBL5777281 0.91 HDAC8 (0.34) HDAC8
SCHEMBL5776662 0.86 TRPV1 (0.37) TRPV1HDAC1HDAC2HDAC8
SCHEMBL5775722 0.84 GSK3B (0.41) TRPV1HDAC1HDAC2HDAC8FAAH
SCHEMBL5907124 0.83 FAAH (0.36) TRPV1HDAC1HDAC2HDAC8FAAH
SCHEMBL5772985 0.82 GSK3B (0.41) TRPV1HDAC1HDAC2HDAC8FAAH
SCHEMBL5775561 0.82 FAAH (0.39) TRPV1HDAC1HDAC2HDAC8FAAH
SCHEMBL5773874 0.81 MAPT (0.42) FAAH
SCHEMBL5774897 0.81 MPO (0.35) HDAC2HDAC8
SCHEMBL5771107 0.80 HDAC4 (0.35) TRPV1HDAC1HDAC2HDAC8SLC9A5
Trifluoroacetic Acid SCHEMBL5774050 0.80 TRPV1 (0.43) TRPV1HDAC1HDAC2HDAC8FAAH

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 TRPV1 2864/4885HDAC1 353/4885HDAC2 449/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TRPV1 3621/4885HDAC1 184/4885HDAC2 391/4885

“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.