SCHEMBL19954582

SCHEMBL19954582

CC(=O)N1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.33
NR3C2 P08235 1/20 0.33
TACR1 P25103 4/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KHK P50053 2/20 0.31
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 2/20 0.30
CRACR2A Q9BSW2 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
KCNT1 Q5JUK3 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
SCHEMBL19954607 0.88 GAA (0.36) GAAPTGDR2NR3C2KHKMEN1
SCHEMBL18164106 0.85 GAA (0.47) GAAPTGDR2NR3C2MAPTCRACR2A
SCHEMBL18161186 0.84 KDM5A (0.38) PTGDR2MAPTHPGD
SCHEMBL19954547 0.82 MEN1 (0.40) GAANR3C2TACR1ALDH1A1MEN1
SCHEMBL19954520 0.81 KDM5A (0.39) NR3C2TACR1ALDH1A1MAPTTHRB
SCHEMBL19954650 0.80 PTGDR2 (0.38) GAAPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL21023756 0.79
SCHEMBL21023784 0.78 NR3C2 (0.36) GAANR3C2ALDH1A1MAPTTHRB
SCHEMBL19954583 0.76 MEN1 (0.39) GAANR3C2ALDH1A1MEN1KMT2A
SCHEMBL19105611 0.76 TGFBR1 (0.35) GAANR3C2MEN1KMT2ACYP3A4

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 GAA 202/4885PTGDR2 3090/4885NR3C2 4324/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D GAA 202/4885PTGDR2 3090/4885NR3C2 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.