SCHEMBL19954634

SCHEMBL19954634

CC(C)c1cc(C(F)(F)F)nn1C1CCC(=O)NC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.35
TACR1 P25103 1/20 0.34
PDE4B Q07343 2/20 0.32
PDE3A Q14432 2/20 0.32
KCNN4 O15554 1/20 0.32
MAP3K12 Q12852 1/20 0.32
GRIA1 P42261 1/20 0.31
FLT3 P36888 1/20 0.31
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
PLAT P00750 1/20 0.31
SLC5A1 P13866 3/20 0.31
IL1B P01584 1/20 0.31
NR3C2 P08235 1/20 0.31
TGFBR1 P36897 1/20 0.31
PDE2A O00408 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL21023567 0.84 CRBN (0.37) CRBNTACR1PDE4BPDE3APLAT
SCHEMBL18161166 0.82 CRBN (0.33) CRBNSLC5A1
SCHEMBL19954572 0.81 MAPK1 (0.36) TACR1PDE4BPDE3AKCNN4MAP3K12
SCHEMBL19105611 0.80 TGFBR1 (0.35) KCNN4MAP3K12NR3C2TGFBR1
SCHEMBL19954570 0.80 TGFBR1 (0.42) MAP3K12PLATTGFBR1
SCHEMBL19954553 0.77 NR3C2 (0.40) MAP3K12NR3C2TGFBR1
SCHEMBL19954663 0.77 NR3C2 (0.38) KCNN4MAP3K12NR3C2TGFBR1
SCHEMBL19954537 0.77 PLAT (0.42) MAP3K12PLATNR3C2TGFBR1IRAK4
SCHEMBL21024127 0.76 NR3C2 (0.40) MAP3K12NR3C2TGFBR1
SCHEMBL19954574 0.74 MAP3K12 (0.43) KCNN4MAP3K12TGFBR1

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 CRBN 3757/4885TACR1 4511/4885PDE4B 235/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CRBN 3757/4885TACR1 4511/4885PDE4B 235/4885

“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.