SCHEMBL19954601

SCHEMBL19954601

CC(O)C(=O)N1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.38
DPP4 P27487 8/20 0.38
DPP7 Q9UHL4 7/20 0.38
BTK Q06187 2/20 0.36
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NR3C2 P08235 1/20 0.35
DPP9 Q86TI2 2/20 0.34
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33

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
SCHEMBL19954520 0.88 KDM5A (0.39) KDM5AMAPTHPGDNPSR1ALDH1A1
SCHEMBL18163941 0.87 KDM5A (0.45) KDM5ADPP4DPP7BTKPGR
SCHEMBL19954568 0.85 IRAK4 (0.38) KDM5AMAPTHPGDNPSR1ALDH1A1
SCHEMBL19954626 0.84 KDM4E (0.43) KDM5AMAPTHPGDNPSR1ALDH1A1
SCHEMBL18161158 0.83 KDM5A (0.50) KDM5ABTKPIK3R1PIK3CA
SCHEMBL19954599 0.81 NR3C2 (0.39) MAPTHPGDNPSR1ALDH1A1THRB
SCHEMBL19954594 0.81 GAA (0.46) KDM5A
SCHEMBL19954569 0.81 PKM (0.41) DPP4CYP2C9MAPTHPGDNPSR1
SCHEMBL19954630 0.81 NR3C2 (0.36) KDM5AMAPTHPGDNPSR1ALDH1A1
SCHEMBL19954655 0.80 GAA (0.36) KMT2ANR3C2

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 KDM5A 2043/4885DPP4 2898/4885DPP7 3710/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D KDM5A 2043/4885DPP4 2898/4885DPP7 3710/4885

“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.