SCHEMBL19954663

SCHEMBL19954663

CC(C)c1cc(C(F)(F)F)nn1C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
MAP3K12 Q12852 4/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
TGFBR1 P36897 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KCNH2 Q12809 2/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHR2 Q13324 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
SCHEMBL19954553 0.97 NR3C2 (0.40) NR3C2TRPV1MAP3K12MAPK13MAPK12
SCHEMBL21024127 0.95 NR3C2 (0.40) NR3C2TRPV1MAP3K12MAPK13MAPK12
SCHEMBL19105611 0.94 TGFBR1 (0.35) NR3C2TRPV1MAP3K12TGFBR1GAA
SCHEMBL21023794 0.88 NR3C2 (0.39) NR3C2TRPV1MAP3K12MAPK13MAPK12
SCHEMBL19954537 0.87 PLAT (0.42) NR3C2MAP3K12TGFBR1MEN1KMT2A
SCHEMBL21023784 0.87 NR3C2 (0.36) NR3C2TRPV1MAP3K12TGFBR1GAA
SCHEMBL19954523 0.87 TGFBR1 (0.35) NR3C2TRPV1MAP3K12TGFBR1MEN1
SCHEMBL19954606 0.87 TGFBR1 (0.41) NR3C2MAP3K12TGFBR1KCNH2
SCHEMBL19954571 0.87 NR3C2 (0.34) NR3C2TRPV1MAP3K12TGFBR1
SCHEMBL19954525 0.87 SMN1; SMN2 (0.37) NR3C2MAP3K12TGFBR1KCNH2GAA

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 NR3C2 4324/4885TRPV1 2663/4885MAP3K12 1341/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D NR3C2 4324/4885TRPV1 2663/4885MAP3K12 1341/4885

“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.