SCHEMBL19954576

SCHEMBL19954576

CC(CN1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NR3C2 P08235 1/20 0.35
APAF1 O14727 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HDAC4 P56524 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
FPR1 P21462 1/20 0.33
TACR1 P25103 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
RAB9A P51151 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
SCHEMBL19954593 0.93 GAA (0.35) HTR2AHRH1ALDH1A1NR3C2APAF1
SCHEMBL18164030 0.89 LMNA (0.40) HTR2AHRH1ALDH1A1NR3C2APAF1
SCHEMBL19954664 0.82 MAPK1 (0.39) HTR2AALDH1A1NR3C2LMNATRPV1
SCHEMBL18164010 0.82 GAA (0.41) HTR2AHRH1ALDH1A1NR3C2APAF1
SCHEMBL19954655 0.82 GAA (0.36) NR3C2GAATRPV1KMT2ATACR1
SCHEMBL21023784 0.81 NR3C2 (0.36) ALDH1A1NR3C2LMNAGAATRPV1
SCHEMBL19954595 0.81 IL1B (0.35) NR3C2GAATRPV1KMT2AMEN1
SCHEMBL19954569 0.81 PKM (0.41) ALDH1A1NR3C2LMNAGAATRPV1
SCHEMBL21023768 0.80 POLB (0.33) NR3C2POLBGAATRPV1CYP2C9
SCHEMBL19954579 0.80 NR3C2 (0.36) NR3C2GAATRPV1KMT2ATACR1

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 HTR2A 3236/4885HRH1 1607/4885ALDH1A1 2111/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D HTR2A 3236/4885HRH1 1607/4885ALDH1A1 2111/4885

“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.