SCHEMBL19954525

SCHEMBL19954525

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.36
NR3C2 P08235 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAP3K12 Q12852 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TGFBR1 P36897 2/20 0.33
IDH2 P48735 1/20 0.33
ADRB2 P07550 1/20 0.33
IRAK4 Q9NWZ3 4/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
IRAK1 P51617 1/20 0.32
KCNH2 Q12809 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 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
SCHEMBL19954637 0.92 ALDH1A1 (0.34) NR3C2ALDH1A1MAP3K12IDH2HTR2A
SCHEMBL19105611 0.90 TGFBR1 (0.35) GAANR3C2MAP3K12CYP2D6CYP2C19
SCHEMBL21023784 0.89 NR3C2 (0.36) GAANR3C2ALDH1A1MAP3K12TGFBR1
SCHEMBL19954566 0.87 NR3C1 (0.36) NR3C2ALDH1A1MAP3K12TGFBR1KCNH2
SCHEMBL9906372 0.87 GAA (0.38) SMN1; SMN2GAAALOX15HTR2AHTR2C
SCHEMBL19954553 0.87 NR3C2 (0.40) GAANR3C2ALDH1A1MAP3K12CYP2D6
SCHEMBL19954663 0.87 NR3C2 (0.38) GAANR3C2MAP3K12CYP2D6CYP2C19
SCHEMBL21024127 0.85 NR3C2 (0.40) SMN1; SMN2GAANR3C2ALDH1A1MAP3K12
SCHEMBL19954664 0.84 MAPK1 (0.39) SMN1; SMN2NR3C2ALDH1A1TGFBR1IRAK4
SCHEMBL19954537 0.83 PLAT (0.42) ALOX15NR3C2ALDH1A1MAP3K12TGFBR1

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 SMN1; SMN2 3715/4885GAA 202/4885ALOX15 4472/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D SMN1; SMN2 3715/4885GAA 202/4885ALOX15 4472/4885

“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.