SCHEMBL16675888

SCHEMBL16675888

CC(C)c1n[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.51
▸ GSK3B P49841 1/20 0.48
▸ MAP2K4 P45985 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MAPK6 Q16659 2/20 0.48
▸ MAPKAPK5 Q8IW41 1/20 0.48
▸ KIF11 P52732 6/20 0.46
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ KCNQ1 P51787 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ METAP2 P50579 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42
▸ MAPKAPK3 Q16644 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL15723643 0.87 MAP2K4 (0.52) TRPA1GSK3BMAP2K4MAPK1MAPK6
SCHEMBL18806114 0.85 KIF11 (0.44) TRPA1GSK3BKIF11ALDH1A1
SCHEMBL18556934 0.85 GSK3B (0.50) TRPA1GSK3BMAP2K4MAPK1MAPK6
SCHEMBL29426515 0.80 PARP1 (0.42) TRPA1GSK3BMAP2K4MAPK1MAPK6
SCHEMBL29426569 0.80 MAPT (0.44) GSK3BMAPTHSD17B10
SCHEMBL24076896 0.80 MAPT (0.44) GSK3BMAPTHSD17B10
SCHEMBL26732910 0.80 PARP1 (0.42) TRPA1GSK3BMAP2K4MAPK1MAPK6
SCHEMBL13122227 0.78 TRPA1 (0.55) TRPA1GSK3BMAP2K4MAPK1MAPK6
SCHEMBL13915052 0.78 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL18806213 0.76 KIF11 (0.47) TRPA1GSK3BMAP2K4KIF11METAP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 — — US disclosed
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 — — US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 — — US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 — — US disclosed
US-9458179-B2 Quinuclidine, 1-azabicyclo[2.2.1]heptane, 1-azabicyclo [3.2.1]octane, and 1-azabicyclo[3.2.2]nonane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 — — US disclosed
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-12 — — US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 — — US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 — — 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 (3 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-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D TRPA1 3822/4885GSK3B 3708/4885MAP2K4 3362/4885
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA2, CHRNA1 TRPA1 800/4885GSK3B 2335/4885MAP2K4 4541/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C TRPA1 4248/4885GSK3B 4407/4885MAP2K4 4377/4885

“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.

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