SCHEMBL19954571

SCHEMBL19954571

CC(C)c1cc(C(F)(F)F)nn1C1CCC(N)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
TGFBR1 P36897 1/20 0.33
MAP3K12 Q12852 2/20 0.32
TRPV1 Q8NER1 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
SCHEMBL19105611 0.93 TGFBR1 (0.35) NR3C2TGFBR1MAP3K12TRPV1
SCHEMBL19954611 0.92 MPO (0.35) NR3C2SMYD3TGFBR1MAP3K12
SCHEMBL19954553 0.87 NR3C2 (0.40) NR3C2TGFBR1MAP3K12TRPV1
SCHEMBL19954663 0.87 NR3C2 (0.38) NR3C2TGFBR1MAP3K12TRPV1
SCHEMBL19954523 0.86 TGFBR1 (0.35) NR3C2TGFBR1MAP3K12TRPV1
SCHEMBL21024127 0.85 NR3C2 (0.40) NR3C2TGFBR1MAP3K12TRPV1
SCHEMBL19954537 0.83 PLAT (0.42) NR3C2TGFBR1MAP3K12
SCHEMBL21023784 0.83 NR3C2 (0.36) NR3C2TGFBR1MAP3K12TRPV1
SCHEMBL19954606 0.83 TGFBR1 (0.41) NR3C2TGFBR1MAP3K12
SCHEMBL19954525 0.83 SMN1; SMN2 (0.37) NR3C2TGFBR1MAP3K12

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 NR3C2 4324/4885SMYD3 3526/4885TGFBR1 4644/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D NR3C2 4324/4885SMYD3 3526/4885TGFBR1 4644/4885

“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.