SCHEMBL20652803

SCHEMBL20652803

Cc1ccc(Cn2c(-c3cccnc3OCC3CC3)nc3c2c(=O)n(CCCO)c(=O)n3C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 15/20 0.41
▸ TRPC4 Q9UBN4 2/20 0.39
▸ TRPC5 Q9UL62 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ USP1 O94782 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ TRPC1 P48995 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
SCHEMBL20652804 0.95 P2RX3 (0.46) P2RX3TRPC4TRPC5KCNH2TRPC1
SCHEMBL20653072 0.95 ADORA3 (0.42) P2RX3TRPC4TRPC5KCNH2USP1
SCHEMBL20652731 0.94 PKM (0.40) P2RX3TRPC4TRPC5KCNH2USP1
SCHEMBL20652966 0.93 MDM2 (0.43) P2RX3TRPC4TRPC5KCNH2USP1
SCHEMBL20656182 0.92 P2RX3 (0.41) P2RX3USP1ADORA3
SCHEMBL20656196 0.92 MDM2 (0.39) P2RX3TRPC4TRPC5KCNH2USP1
SCHEMBL20656195 0.91 TRPC4 (0.38) P2RX3TRPC4TRPC5KCNH2USP1
SCHEMBL20652798 0.91 TRPC4 (0.38) P2RX3TRPC4TRPC5KCNH2USP1
SCHEMBL20652951 0.91 FFAR4 (0.36) P2RX3TRPC4TRPC5KCNH2USP1
SCHEMBL20656223 0.90 TRPC4 (0.37) P2RX3TRPC4TRPC5KCNH2ADORA3

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 P2RX3 21/4885TRPC4 3/4885TRPC5 1/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 P2RX3 19/4885TRPC4 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.

Send feedback