SCHEMBL13801628

SCHEMBL13801628

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
TAS1R2 Q8TE23 2/20 0.51
USP30 Q70CQ3 3/20 0.46
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 1/20 0.42
DGAT2 Q96PD7 2/20 0.41
RIPK1 Q13546 1/20 0.41
F10 P00742 2/20 0.41
PREP P48147 1/20 0.41
SPTLC2 O15270 5/20 0.41

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
SCHEMBL13814609 1.00 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2USP30HDAC4
SCHEMBL13801629 0.94 HDAC4 (0.44) TAS1R3TAS1R1TAS1R2USP30HDAC4
SCHEMBL13814680 0.94 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2USP30HDAC4
SCHEMBL13814655 0.94 HDAC4 (0.44) TAS1R3TAS1R1TAS1R2USP30HDAC4
SCHEMBL13801627 0.94 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2USP30HDAC4
SCHEMBL13814608 0.90 HSD11B1 (0.48) TAS1R3TAS1R1TAS1R2USP30HDAC4
SCHEMBL13801630 0.90 HSD11B1 (0.48) TAS1R3TAS1R1TAS1R2USP30HDAC4
SCHEMBL13801639 0.88 HDAC4 (0.48) USP30HDAC4HDAC6MEN1KMT2A
SCHEMBL13814615 0.88 HDAC4 (0.48) USP30HDAC4HDAC6MEN1KMT2A
SCHEMBL13814634 0.88 USP30 (0.46) USP30HDAC4HDAC6MEN1KMT2A

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-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT TAS1R3 1426/4885TAS1R1 1216/4885TAS1R2 1033/4885

“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.