SCHEMBL5907124

SCHEMBL5907124

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
CNR1 P21554 1/20 0.35
TACR1 P25103 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
POLQ O75417 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CACNA1B Q00975 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL5774087 0.91 CNR1 (0.36) FAAHNR1H2NR1H3CNR1HDAC8
SCHEMBL5776662 0.87 TRPV1 (0.37) TRPV1HDAC1HDAC2HDAC8
SCHEMBL5775561 0.85 FAAH (0.39) FAAHTRPV1HDAC1HDAC2HDAC8
SCHEMBL5774056 0.83 TRPV1 (0.38) FAAHTRPV1HDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL5772750 0.82 MAPT (0.40) FAAHCNR1TRPV1
SCHEMBL5771107 0.82 HDAC4 (0.35) TRPV1HDAC1HDAC2HDAC8PPARA
SCHEMBL5775722 0.82 GSK3B (0.41) FAAHTRPV1HDAC1HDAC2HDAC8
SCHEMBL5776379 0.81 MAPT (0.41) TRPV1POLQ
SCHEMBL5774573 0.80 LMNA (0.40) FAAHNR1H2NR1H3TRPV1HDAC1
SCHEMBL5773874 0.80 MAPT (0.42) FAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 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 (1 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 FAAH 2848/4885NR1H2 51/4885NR1H3 19/4885

“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.