SCHEMBL19954613

SCHEMBL19954613

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM5A P29375 1/20 0.38
JAK1 P23458 5/20 0.37
JAK2 O60674 3/20 0.37
NR3C2 P08235 1/20 0.36
PRCP P42785 1/20 0.36
GAA P10253 1/20 0.35
CRHR1 P34998 2/20 0.35
TGFBR1 P36897 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
IDO1 P14902 1/20 0.34
CARM1 Q86X55 1/20 0.34
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
KDR P35968 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCDC6 Q16204 1/20 0.33
EPHX2 P34913 1/20 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
SCHEMBL19954583 0.94 MEN1 (0.39) MEN1KMT2AKDM5AJAK1JAK2
SCHEMBL19954610 0.89 PDE7A (0.39) MEN1KMT2AKDM5ANR3C2GAA
SCHEMBL18164110 0.86 CRHR1 (0.42) MEN1KMT2AJAK1JAK2NR3C2
SCHEMBL19954547 0.84 MEN1 (0.40) MEN1KMT2AKDM5ANR3C2GAA
SCHEMBL19105611 0.83 TGFBR1 (0.35) MEN1KMT2ANR3C2GAATGFBR1
SCHEMBL18161191 0.83 CRHR1 (0.41) KDM5AJAK1JAK2PRCPCRHR1
SCHEMBL19954538 0.80 AR (0.40) JAK1JAK2NR3C2PRCPTRPV1
SCHEMBL18164111 0.80 CRHR1 (0.40) MEN1KMT2AJAK1JAK2NR3C2
SCHEMBL19954523 0.80 TGFBR1 (0.35) MEN1KMT2AJAK2NR3C2TGFBR1
SCHEMBL21023738 0.80 MAP3K12 (0.34) MEN1KMT2ANR3C2TGFBR1TRPV1

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 MEN1 3723/4885KMT2A 4057/4885KDM5A 2043/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MEN1 3723/4885KMT2A 4057/4885KDM5A 2043/4885

“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.