SCHEMBL20652798

SCHEMBL20652798

CC(C)n1c(=O)n(CCCO)c(=O)c2c1nc(-c1cccnc1OCC1CC1)n2Cc1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.38
▸ TRPC5 Q9UL62 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ P2RX3 P56373 7/20 0.38
▸ FFAR4 Q5NUL3 3/20 0.37
▸ TRPC1 P48995 1/20 0.37
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ USP1 O94782 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ PDE5A O76074 2/20 0.34

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
SCHEMBL20656195 0.96 TRPC4 (0.38) TRPC4TRPC5KCNH2P2RX3FFAR4
SCHEMBL20652731 0.92 PKM (0.40) TRPC4TRPC5KCNH2P2RX3FFAR4
SCHEMBL20656057 0.92 ALOX5AP (0.36) P2RX3FFAR4ALOX5APFEN1PTGDR2
SCHEMBL20652951 0.92 FFAR4 (0.36) TRPC4TRPC5KCNH2P2RX3FFAR4
SCHEMBL20652804 0.92 P2RX3 (0.46) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL20652803 0.91 P2RX3 (0.41) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL20653072 0.90 ADORA3 (0.42) TRPC4TRPC5KCNH2P2RX3ADORA3
SCHEMBL20652966 0.90 MDM2 (0.43) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL20656196 0.88 MDM2 (0.39) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL24095545 0.86 TRPC5 (0.38) TRPC4TRPC5KCNH2P2RX3TRPC1

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
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 — — EP disclosed
US-10329292-B2 Substituted xanthine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-25 — — US disclosed
WO-2019011802-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — WO disclosed
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — 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-10329292-B2 Substituted xanthine derivatives TRPC5, TRPV1, TRPC4 TRPC4 3/4885TRPC5 1/4885KCNH2 117/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 TRPC4 2/4885TRPC5 1/4885KCNH2 185/4885

“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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