SCHEMBL19954591

SCHEMBL19954591

CC(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MCHR1 Q99705 1/20 0.34
NR3C1 P04150 1/20 0.33
IL1B P01584 2/20 0.32
SLC18A3 Q16572 1/20 0.32
NLRP3 Q96P20 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KHK P50053 1/20 0.32
KCNH2 Q12809 2/20 0.31
MAP3K12 Q12852 1/20 0.31
HTR4 Q13639 1/20 0.31
GAA P10253 1/20 0.30
PRKDC P78527 1/20 0.30
NR3C2 P08235 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
SCHEMBL19954664 0.93 MAPK1 (0.39) MAPK1IRAK4NR3C1SLC18A3TRPV4
SCHEMBL19954595 0.86 IL1B (0.35) IL1BTLR9TLR8TLR7MAP3K12
SCHEMBL21023768 0.86 POLB (0.33) TLR9TLR8TLR7MAP3K12GAA
SCHEMBL19954580 0.85 BTK (0.36) MAPK1TLR9TLR8TLR7MAP3K12
SCHEMBL19954655 0.85 GAA (0.36) TLR9TLR8TLR7KHKGAA
SCHEMBL18164008 0.84 GAA (0.38) MAPK1IRAK4MCHR1NR3C1IL1B
SCHEMBL19954593 0.83 GAA (0.35) IRAK4KHKGAANR3C2
SCHEMBL19954579 0.83 NR3C2 (0.36) IRAK4TLR9TLR8TLR7GAA
SCHEMBL18161156 0.83 DRD2 (0.39) MAPK1SLC18A3TLR9TLR8TLR7
SCHEMBL19954637 0.83 ALDH1A1 (0.34) MCHR1IL1BNLRP3KHKKCNH2

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 MAPK1 2041/4885IRAK4 992/4885MCHR1 4836/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MAPK1 2041/4885IRAK4 992/4885MCHR1 4836/4885

“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.