SCHEMBL19954569

SCHEMBL19954569

CC(C)c1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
CNR1 P21554 2/20 0.38
GAA P10253 1/20 0.36
NR3C2 P08235 1/20 0.36
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACACB O00763 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
SCHEMBL19954568 0.93 IRAK4 (0.38) PKMIRAK4CNR1GAANR3C2
SCHEMBL19954599 0.85 NR3C2 (0.39) PKMGAANR3C2ALDH1A1MAPT
SCHEMBL18164014 0.84 GAA (0.46) PKMIRAK4CNR1GAANR3C2
SCHEMBL18161169 0.83 KDM5A (0.43) PKMCNR1TLR9TLR8TLR7
SCHEMBL21023784 0.82 NR3C2 (0.36) GAANR3C2LMNAKDM4EALDH1A1
SCHEMBL19954520 0.82 KDM5A (0.39) NR3C2EPHX2ALDH1A1MAPTTHRB
SCHEMBL19954664 0.81 MAPK1 (0.39) IRAK4NR3C2LMNATLR9TLR8
SCHEMBL19105611 0.81 TGFBR1 (0.35) GAANR3C2LMNAKDM4ECYP2C19
SCHEMBL19954576 0.81 HTR2A (0.38) IRAK4GAANR3C2LMNACYP2C9
SCHEMBL19954601 0.81 KDM5A (0.38) NR3C2LMNACYP2C9ALDH1A1MAPT

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 PKM 1021/4885IRAK4 992/4885CNR1 3908/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D PKM 1021/4885IRAK4 992/4885CNR1 3908/4885

“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.