SCHEMBL19954630

SCHEMBL19954630

CC(C)c1cc(C(F)(F)F)nn1C1CCN(C(C)C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.36
HRH3 Q9Y5N1 4/20 0.33
NR3C1 P04150 2/20 0.33
KDM5A P29375 1/20 0.32
GAA P10253 1/20 0.32
SLC6A9 P48067 1/20 0.32
CCR5 P51681 2/20 0.31
SCN1A P35498 1/20 0.31
SCN4A P35499 1/20 0.31
SCN7A Q01118 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
WHR1 P49842 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 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
SCHEMBL18164009 0.88 GAA (0.39) NR3C2NR3C1KDM5AGAASLC6A9
SCHEMBL19954566 0.84 NR3C1 (0.36) NR3C2HRH3NR3C1WHR1EHMT2
SCHEMBL18161153 0.83 KDM5A (0.43) NR3C1KDM5ASLC6A9CCR5SCN1A
SCHEMBL19954520 0.82 KDM5A (0.39) NR3C2KDM5AMAPTHPGDNPSR1
SCHEMBL19954593 0.81 GAA (0.35) NR3C2KDM5AGAACCR5TRPV1
SCHEMBL19954601 0.81 KDM5A (0.38) NR3C2KDM5AMAPTHPGDNPSR1
SCHEMBL19954655 0.81 GAA (0.36) NR3C2GAASLC6A9TRPV1KMT2A
SCHEMBL19954637 0.80 ALDH1A1 (0.34) NR3C2KCNH2MAP3K12ALDH1A1
SCHEMBL21023784 0.80 NR3C2 (0.36) NR3C2GAATRPV1MAPTHPGD
SCHEMBL19954568 0.80 IRAK4 (0.38) NR3C2KDM5AGAAMAPTHPGD

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 NR3C2 4324/4885HRH3 2088/4885NR3C1 2230/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D NR3C2 4324/4885HRH3 2088/4885NR3C1 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.