SCHEMBL5771107

SCHEMBL5771107

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.35
TRPV1 Q8NER1 9/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 2/20 0.32
S1PR1 P21453 1/20 0.32
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
THRB P10828 1/20 0.31
PIM1 P11309 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 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
SCHEMBL5775533 0.91 HDAC8 (0.33) HDAC4HDAC8PLA2G7PPARAGRIN2B
SCHEMBL5776662 0.88 TRPV1 (0.37) HDAC4TRPV1HDAC1HDAC2HDAC8
SCHEMBL5772985 0.82 GSK3B (0.41) TRPV1HDAC1HDAC2HDAC8S1PR1
SCHEMBL5907124 0.82 FAAH (0.36) TRPV1HDAC1HDAC2HDAC8PPARA
SCHEMBL5775722 0.80 GSK3B (0.41) HDAC4TRPV1HDAC1HDAC2HDAC8
SCHEMBL5774056 0.80 TRPV1 (0.38) TRPV1HDAC1HDAC2HDAC8SLC9A5
SCHEMBL5774478 0.79 HIF1A (0.42) S1PR1CYP3A4HTR1AHTR2ACYP2C19
SCHEMBL5777440 0.79 HDAC8 (0.35) HDAC4HDAC8CYP3A4SMN1; SMN2PLA2G7
SCHEMBL5775561 0.78 FAAH (0.39) HDAC4TRPV1HDAC1HDAC2HDAC8
SCHEMBL5774573 0.77 LMNA (0.40) TRPV1HDAC1HDAC2HDAC8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HDAC4 497/4885TRPV1 3621/4885HDAC1 184/4885

“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.