SCHEMBL19954566

SCHEMBL19954566

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.36
NR3C2 P08235 1/20 0.35
HRH3 Q9Y5N1 5/20 0.35
TYRO3 Q06418 1/20 0.33
OGA O60502 1/20 0.32
TACR1 P25103 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAP3K12 Q12852 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KCNN4 O15554 1/20 0.31
TGFBR1 P36897 1/20 0.30
WHR1 P49842 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL19105611 0.88 TGFBR1 (0.35) NR3C2TYRO3MAP3K12KCNN4TGFBR1
SCHEMBL21023784 0.87 NR3C2 (0.36) NR3C2MAP3K12ALDH1A1TGFBR1
SCHEMBL19954525 0.87 SMN1; SMN2 (0.37) NR3C2KCNH2MAP3K12ALDH1A1TGFBR1
SCHEMBL19954663 0.85 NR3C2 (0.38) NR3C2KCNH2MAP3K12KCNN4TGFBR1
SCHEMBL19954553 0.85 NR3C2 (0.40) NR3C2KCNH2MAP3K12ALDH1A1TLR8
SCHEMBL21023948 0.84 NR3C1 (0.38) NR3C1NR3C2HRH3OGATLR9
SCHEMBL21024127 0.84 NR3C2 (0.40) NR3C2KCNH2MAP3K12ALDH1A1TLR8
SCHEMBL19954630 0.84 NR3C2 (0.36) NR3C1NR3C2HRH3TACR1KCNH2
SCHEMBL19954637 0.82 ALDH1A1 (0.34) NR3C2KCNH2MAP3K12ALDH1A1KCNN4
SCHEMBL19954641 0.82 NR3C1 (0.35) NR3C1NR3C2HRH3TYRO3OGA

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

“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.