SCHEMBL19954610

SCHEMBL19954610

CC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CCRL2 O00421 1/20 0.36
NR3C2 P08235 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
TSHR P16473 1/20 0.36
CRHR1 P34998 1/20 0.36
TACR1 P25103 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM5A P29375 1/20 0.35
LRRK2 Q5S007 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NPC1 O15118 1/20 0.34
CARM1 Q86X55 1/20 0.34

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
SCHEMBL19954547 0.94 MEN1 (0.40) PDE7AMEN1KMT2ACCRL2NR3C2
SCHEMBL19954613 0.89 MEN1 (0.38) MEN1KMT2ANR3C2GAACRHR1
SCHEMBL19105611 0.84 TGFBR1 (0.35) MEN1KMT2ANR3C2GAATSHR
SCHEMBL18164105 0.84 CRHR1 (0.44) PDE7AMEN1KMT2ACCRL2NR3C2
SCHEMBL19954583 0.84 MEN1 (0.39) MEN1KMT2ANR3C2GAACRHR1
SCHEMBL18161190 0.84 PDE7A (0.45) PDE7AMEN1KMT2AATMTOP2A
SCHEMBL19954538 0.81 AR (0.40) NR3C2TRPV1
SCHEMBL21023784 0.81 NR3C2 (0.36) NR3C2GAAALDH1A1TRPV1
SCHEMBL19954523 0.81 TGFBR1 (0.35) MEN1KMT2ANR3C2TRPV1
SCHEMBL21023738 0.81 MAP3K12 (0.34) MEN1KMT2ANR3C2TRPV1

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 PDE7A 352/4885MEN1 3723/4885KMT2A 4057/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D PDE7A 352/4885MEN1 3723/4885KMT2A 4057/4885

“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.