SCHEMBL24495601

SCHEMBL24495601

CCN1c2nc(-c3ccc(OC4CC(C)C4)nc3C)n(Cc3ccc(F)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.31

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
SCHEMBL24091847 0.94 P2RX3 (0.31) P2RX3
SCHEMBL22105716 0.93 ADORA3 (0.33) —
SCHEMBL22105423 0.92 P2RX3 (0.35) P2RX3
SCHEMBL22105742 0.91 P2RX3 (0.33) P2RX3
SCHEMBL24495618 0.90 — —
SCHEMBL24091844 0.89 P2RX3 (0.31) P2RX3
SCHEMBL22105849 0.86 P2RX3 (0.35) P2RX3
SCHEMBL22105851 0.82 ADORA3 (0.32) —
SCHEMBL24495689 0.82 P2RX3 (0.35) P2RX3
SCHEMBL24092238 0.82 P2RX3 (0.35) P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-09 — — 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-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 P2RX3 9/4885

“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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