SCHEMBL20652966

SCHEMBL20652966

CC(C)n1c(=O)n(CCCO)c(=O)c2c1nc(-c1cccnc1OCC1CC1)n2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 14/20 0.43
▸ TRPC4 Q9UBN4 2/20 0.39
▸ TRPC5 Q9UL62 2/20 0.39
▸ TRPC1 P48995 1/20 0.39
▸ P2RX3 P56373 2/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ USP1 O94782 1/20 0.36

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
SCHEMBL20656196 0.96 MDM2 (0.39) MDM2TRPC4TRPC5TRPC1P2RX3
SCHEMBL24095545 0.93 TRPC5 (0.38) MDM2TRPC4TRPC5TRPC1P2RX3
SCHEMBL20652731 0.93 PKM (0.40) MDM2TRPC4TRPC5TRPC1P2RX3
SCHEMBL20652803 0.93 P2RX3 (0.41) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL24095606 0.92 MDM2 (0.43) MDM2P2RX3GPBAR1USP1
SCHEMBL20652804 0.92 P2RX3 (0.46) TRPC4TRPC5TRPC1P2RX3KCNH2
SCHEMBL20653072 0.92 ADORA3 (0.42) TRPC4TRPC5P2RX3KCNH2USP1
SCHEMBL20652798 0.90 TRPC4 (0.38) MDM2TRPC4TRPC5TRPC1P2RX3
SCHEMBL20656195 0.90 TRPC4 (0.38) MDM2TRPC4TRPC5TRPC1P2RX3
SCHEMBL20652951 0.89 FFAR4 (0.36) MDM2TRPC4TRPC5TRPC1P2RX3

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 MDM2 4354/4885TRPC4 3/4885TRPC5 1/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 MDM2 4635/4885TRPC4 2/4885TRPC5 1/4885

“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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