SCHEMBL19498669

SCHEMBL19498669

Cn1c(=O)n(CCO)c(=O)c2c1nc(Cc1cccc(OC(F)(F)F)c1)n2Cc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 8/20 0.68
▸ TRPC4 Q9UBN4 2/20 0.68
▸ TRPC1 P48995 1/20 0.68
▸ PCSK9 Q8NBP7 3/20 0.57
▸ KCNH2 Q12809 1/20 0.55
▸ P2RX3 P56373 3/20 0.53
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ HIF1A Q16665 2/20 0.45
▸ TP53 P04637 2/20 0.44
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL30171229 0.95 TRPC5 (0.76) TRPC5TRPC4TRPC1PCSK9KCNH2
SCHEMBL16076046 0.95 TRPC5 (0.76) TRPC5TRPC4TRPC1PCSK9KCNH2
SCHEMBL19374971 0.94 TRPC5 (0.71) TRPC5TRPC4TRPC1PCSK9KCNH2
SCHEMBL18833874 0.93 TRPC5 (0.59) TRPC5TRPC4TRPC1PCSK9KCNH2
SCHEMBL19375387 0.89 TRPC5 (0.62) TRPC5TRPC4TRPC1PCSK9KCNH2
SCHEMBL16364002 0.88 TRPC5 (0.77) TRPC5TRPC4TRPC1PCSK9KCNH2
SCHEMBL16364025 0.87 TRPC5 (0.74) TRPC5TRPC4TRPC1PCSK9KCNH2
SCHEMBL16364028 0.86 TRPC5 (0.73) TRPC5TRPC4TRPC1PCSK9KCNH2
SCHEMBL16028421 0.86 TRPC5 (0.67) TRPC5TRPC4TRPC1PCSK9KCNH2
SCHEMBL16364254 0.86 TRPC5 (0.60) TRPC5TRPC4TRPC1PCSK9KCNH2

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-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 — — US disclosed
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
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 1/4885TRPC4 3/4885TRPC1 4/4885

“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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