SCHEMBL19954595

SCHEMBL19954595

CC(O)CN1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.35
TNF P01375 1/20 0.35
MAP3K12 Q12852 2/20 0.33
SLC6A3 Q01959 1/20 0.32
GAA P10253 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
NR3C2 P08235 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
USP2 O75604 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL21023768 0.91 POLB (0.33) MAP3K12GAATLR9TLR8TLR7
SCHEMBL19954593 0.88 GAA (0.35) GAANR3C2TRPV1USP2KMT2A
SCHEMBL18164060 0.87 GAA (0.39) IL1BTNFMAP3K12SLC6A3GAA
SCHEMBL19954591 0.86 MAPK1 (0.35) IL1BMAP3K12GAATLR9TLR8
SCHEMBL19954655 0.85 GAA (0.36) GAATLR9TLR8TLR7NR3C2
SCHEMBL19954579 0.83 NR3C2 (0.36) GAATLR9TLR8TLR7NR3C2
SCHEMBL18161152 0.83 DRD2 (0.39) IL1BTNFSLC6A3TLR9TLR8
SCHEMBL19954664 0.81 MAPK1 (0.39) TLR9TLR8TLR7NR3C2TRPV1
SCHEMBL19954580 0.81 BTK (0.36) MAP3K12TLR9TLR8TLR7
SCHEMBL19954576 0.81 HTR2A (0.38) GAANR3C2TRPV1MEN1KMT2A

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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 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 (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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D IL1B 1428/4885TNF 1893/4885MAP3K12 1341/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D IL1B 1428/4885TNF 1893/4885MAP3K12 1341/4885

“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.