SCHEMBL19954593

SCHEMBL19954593

CC(CN1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
NR3C2 P08235 1/20 0.34
APAF1 O14727 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
USP2 O75604 1/20 0.32
TACR1 P25103 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.31
KMT2A Q03164 1/20 0.31
KDM5A P29375 1/20 0.31
CCR2 P41597 1/20 0.31
CCR5 P51681 1/20 0.31
HDAC4 P56524 1/20 0.31
KHK P50053 1/20 0.31

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
SCHEMBL19954576 0.93 HTR2A (0.38) GAAHTR2AHRH1NR3C2APAF1
SCHEMBL18164010 0.89 GAA (0.41) GAAHTR2AHRH1NR3C2APAF1
SCHEMBL19954595 0.88 IL1B (0.35) GAANR3C2TRPV1USP2KMT2A
SCHEMBL21023768 0.88 POLB (0.33) GAANR3C2POLBTRPV1
SCHEMBL19954655 0.87 GAA (0.36) GAANR3C2TRPV1USP2TACR1
SCHEMBL19954579 0.85 NR3C2 (0.36) GAANR3C2TRPV1USP2TACR1
SCHEMBL18161154 0.84 APAF1 (0.45) HTR2AHRH1APAF1LMNAPOLB
SCHEMBL19954591 0.83 MAPK1 (0.35) GAANR3C2IRAK4KHK
SCHEMBL18164030 0.82 LMNA (0.40) GAAHTR2AHRH1NR3C2APAF1
SCHEMBL19954630 0.81 NR3C2 (0.36) GAANR3C2LMNAALDH1A1TRPV1

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 GAA 202/4885HTR2A 3236/4885HRH1 1607/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D GAA 202/4885HTR2A 3236/4885HRH1 1607/4885

“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.