SCHEMBL19505138

SCHEMBL19505138

CN1c2nc(Oc3cccc(OC(F)(F)F)c3)n(Cc3ccccc3)c2C(=O)N(CCC(F)(F)F)C1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 2/20 0.43
▸ TRPC1 P48995 1/20 0.43
▸ TRPC4 Q9UBN4 1/20 0.43
▸ CHRM5 P08912 3/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ PCSK9 Q8NBP7 1/20 0.36
▸ HCRTR1 O43613 5/20 0.36
▸ HCRTR2 O43614 5/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ P2RX3 P56373 3/20 0.35
▸ KCNN4 O15554 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL19505502 0.89 TRPC5 (0.52) TRPC5TRPC1TRPC4CHRM5HCRTR1
SCHEMBL21499688 0.87 TRPC5 (0.50) TRPC5TRPC1TRPC4CHRM5HCRTR1
SCHEMBL19505365 0.87 TRPC5 (0.42) TRPC5TRPC1TRPC4SCN5ASCN9A
SCHEMBL21316291 0.87 TRPC5 (0.54) TRPC5TRPC1TRPC4CHRM5HCRTR1
SCHEMBL19505055 0.86 TRPC5 (0.56) TRPC5TRPC1TRPC4CHRM5PCSK9
SCHEMBL21316349 0.86 TRPC5 (0.50) TRPC5TRPC1TRPC4P2RX3
SCHEMBL21499665 0.85 TRPC5 (0.51) TRPC5TRPC1TRPC4CHRM5HCRTR1
SCHEMBL19505445 0.85 TRPC5 (0.51) TRPC5TRPC1TRPC4CHRM5HCRTR1
SCHEMBL19505323 0.85 TRPC5 (0.44) TRPC5TRPC1TRPC4CHRM5FEN1
SCHEMBL19505070 0.85 TRPC5 (0.52) TRPC5TRPC1TRPC4CHRM5P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 — — US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 — — 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 (1 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-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC1 4/4885TRPC4 3/4885

“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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