SCHEMBL22448675

SCHEMBL22448675

COc1cc(Oc2cnc(NCC(O)CO)nc2N)c(C(C)C)cn1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.74
P2RX2 Q9UBL9 20/20 0.74

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
SCHEMBL19364130 0.89 P2RX3 (0.85) P2RX3P2RX2
SCHEMBL29839524 0.89 P2RX3 (0.72) P2RX3P2RX2
SCHEMBL22439646 0.89 P2RX3 (0.72) P2RX3P2RX2
SCHEMBL24692985 0.89 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL22439302 0.88 P2RX3 (0.71) P2RX3P2RX2
SCHEMBL29839480 0.88 P2RX3 (0.71) P2RX3P2RX2
SCHEMBL5004953 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL22448731 0.84 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL22439573 0.84 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL30119597 0.84 P2RX3 (0.66) P2RX3P2RX2

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-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-12-08 US disclosed
US-20220211703-A1 METHOD FOR TREATING COUGH BY USING DIAMINOPYRIMIDINE COMPOUND BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-07-07 US disclosed
US-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-06-17 US disclosed
EP-3712144-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-09-23 EP 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 (3 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-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885
US-20220211703-A1 METHOD FOR TREATING COUGH BY USING DIAMINOPYRIMIDINE COMPOUND NUDT1, DPYD, PEPD P2RX3 276/4885P2RX2 282/4885

“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.