SCHEMBL19954664

SCHEMBL19954664

CC(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
NR3C1 P04150 1/20 0.38
SLC18A3 Q16572 1/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
KHK P50053 1/20 0.34
HTR4 Q13639 1/20 0.33
CACNA1I Q9P0X4 2/20 0.33
NR3C2 P08235 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGS2 P35354 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL19954591 0.93 MAPK1 (0.35) MAPK1IRAK4NR3C1SLC18A3TLR9
SCHEMBL19954525 0.84 SMN1; SMN2 (0.37) IRAK4NR3C2KCNH2HTR2ATGFBR1
SCHEMBL21023784 0.84 NR3C2 (0.36) NR3C2LMNATGFBR1ALDH1A1TRPV1
SCHEMBL16805973 0.84 NR3C1 (0.41) MAPK1IRAK4NR3C1SLC18A3TRPV4
SCHEMBL19105611 0.83 TGFBR1 (0.35) NR3C2LMNAKMT2ATGFBR1TRPV1
SCHEMBL19954576 0.82 HTR2A (0.38) IRAK4NR3C2LMNAKMT2AHTR2A
SCHEMBL18161165 0.82 DRD2 (0.43) NR3C1SLC18A3TLR9TLR8TLR7
SCHEMBL19954603 0.81 TRPV4 (0.43) MAPK1IRAK4NR3C1SLC18A3TRPV4
SCHEMBL19954595 0.81 IL1B (0.35) TLR9TLR8TLR7NR3C2KMT2A
SCHEMBL19954569 0.81 PKM (0.41) IRAK4TLR9TLR8TLR7NR3C2

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 4 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
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP 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 992/4885NR3C1 2230/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MAPK1 2041/4885IRAK4 992/4885NR3C1 2230/4885

“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.