SCHEMBL19954637

SCHEMBL19954637

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAP3K12 Q12852 4/20 0.34
NR3C2 P08235 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
KHK P50053 2/20 0.32
IDH2 P48735 1/20 0.32
MCHR1 Q99705 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
IL1B P01584 2/20 0.30
KCNN4 O15554 1/20 0.30
NLRP3 Q96P20 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
SCHEMBL19954525 0.92 SMN1; SMN2 (0.37) ALDH1A1MAP3K12NR3C2IDH2HTR2A
SCHEMBL19105611 0.84 TGFBR1 (0.35) MAP3K12NR3C2KCNN4
SCHEMBL21023784 0.83 NR3C2 (0.36) ALDH1A1MAP3K12NR3C2
SCHEMBL19954642 0.83 ALDH1A1 (0.31) ALDH1A1NR3C2CHRNB2CHRNB4CHRNA3
SCHEMBL19954591 0.83 MAPK1 (0.35) MAP3K12NR3C2KHKMCHR1KCNH2
SCHEMBL19954566 0.82 NR3C1 (0.36) ALDH1A1MAP3K12NR3C2KCNH2KCNN4
SCHEMBL21023768 0.82 POLB (0.33) MAP3K12NR3C2
SCHEMBL18164015 0.82 GAA (0.38) ALDH1A1NR3C2CHRNB2CHRNB4CHRNA3
SCHEMBL19954553 0.81 NR3C2 (0.40) ALDH1A1MAP3K12NR3C2KCNH2
SCHEMBL19954663 0.81 NR3C2 (0.38) MAP3K12NR3C2CHRNB2CHRNB4CHRNA3

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 ALDH1A1 2111/4885MAP3K12 1341/4885NR3C2 4324/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D ALDH1A1 2111/4885MAP3K12 1341/4885NR3C2 4324/4885

“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.