SCHEMBL19954538

SCHEMBL19954538

CC(C)c1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
GRIA2 P42262 3/20 0.37
BTK Q06187 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMO Q99835 1/20 0.34
JAK1 P23458 2/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRCP P42785 1/20 0.33
PTGS2 P35354 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
NR3C2 P08235 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL19954587 0.94 AR (0.41) ARTRPV1GRIA2BTKTRPV4
SCHEMBL19105611 0.84 TGFBR1 (0.35) TRPV1NR3C2
SCHEMBL18164068 0.84 AR (0.39) ARTRPV1GRIA2BTKTRPV4
SCHEMBL18161189 0.83 BTK (0.38) ARBTKTRPV4SMOJAK1
SCHEMBL19954609 0.81 TRPV1 (0.42) ARTRPV1GRIA2BTKTRPV4
SCHEMBL19954610 0.81 PDE7A (0.39) TRPV1NR3C2
SCHEMBL21023738 0.81 MAP3K12 (0.34) TRPV1NR3C2
SCHEMBL19954613 0.80 MEN1 (0.38) TRPV1KCNH2JAK1PRCPNR3C2
SCHEMBL18164095 0.80 AR (0.43) ARTRPV1TRPV4CCR2KCNH2
SCHEMBL19954663 0.79 NR3C2 (0.38) TRPV1KCNH2NR3C2

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 AR 4572/4885TRPV1 2663/4885GRIA2 1773/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D AR 4572/4885TRPV1 2663/4885GRIA2 1773/4885

“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.