SCHEMBL22448801

SCHEMBL22448801

COc1cc(NCC(F)(F)F)ncc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.47
P2RX2 Q9UBL9 10/20 0.47
PDE10A Q9Y233 2/20 0.46
AAK1 Q2M2I8 3/20 0.36
PDE4D Q08499 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL22448584 0.81 PGK1 (0.41) P2RX3P2RX2PDE10APOLBGAA
SCHEMBL7858396 0.80 PDE10A (0.46) P2RX3P2RX2PDE10APOLBGAA
SCHEMBL22448659 0.80 NLRP3 (0.38) P2RX3P2RX2PDE10AAAK1
SCHEMBL22439469 0.78 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL29839596 0.78 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL22448666 0.76 P2RX3 (0.42) P2RX3P2RX2POLBGAAGFER
SCHEMBL22448809 0.74 CYP1A2 (0.47) P2RX3P2RX2
SCHEMBL22350126 0.70 P2RX3 (0.45) P2RX3P2RX2POLBGAAGFER
SCHEMBL7858376 0.70 PDGFRB (0.47) P2RX3P2RX2PDE10A
SCHEMBL30215766 0.68 P2RX3 (0.85) 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 3 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-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 (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-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885PDE10A 307/4885
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885PDE10A 362/4885

“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.