SCHEMBL20023786

SCHEMBL20023786

CCC(CC)n1ncc2nc(N3CCN(C(C)=O)CC3)nc(NCC3(c4ccc(Cl)cc4)CCC3)c21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.59
CYP2C9 P11712 4/20 0.41
DCAF15 Q66K64 2/20 0.39
F2 P00734 1/20 0.37
HRH4 Q9H3N8 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HSD17B10 Q99714 1/20 0.33
CTNNB1 P35222 2/20 0.33
TCF7L2 Q9NQB0 2/20 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
SCHEMBL31494466 1.00 P2RX3 (0.59) P2RX3CYP2C9DCAF15F2HRH4
SCHEMBL20023788 0.93 P2RX3 (0.60) P2RX3CYP2C9DCAF15F2HRH4
SCHEMBL31494477 0.93 P2RX3 (0.60) P2RX3CYP2C9DCAF15F2HRH4
SCHEMBL4228916 0.74 P2RX3 (1.00) P2RX3CYP2C9
SCHEMBL4228721 0.72 P2RX3 (0.97) P2RX3CYP2C9
SCHEMBL20023791 0.70 P2RX3 (0.59) P2RX3CYP2C9
SCHEMBL20023805 0.70 P2RX3 (0.49) P2RX3CYP2C9HSD17B10
SCHEMBL20023789 0.70 P2RX3 (0.59) P2RX3CYP2C9
SCHEMBL31494493 0.70 P2RX3 (0.59) P2RX3CYP2C9
SCHEMBL31494473 0.70 P2RX3 (0.49) P2RX3CYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2022-05-24 US disclosed
US-20200190096-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2020-06-18 US disclosed
US-10611768-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2020-04-07 US disclosed
US-20190092778-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2019-03-28 US disclosed
US-10174039-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2019-01-08 US disclosed
WO-2018064135-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2018-04-05 WO disclosed
US-20180093991-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2018-04-05 US disclosed
US-20180093991-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2018-04-05 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 (6 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-20180093991-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 P2RX3 1/4885CYP2C9 1672/4885DCAF15 4798/4885
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 P2RX3 1/4885CYP2C9 1672/4885DCAF15 4798/4885
US-20200190096-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 P2RX3 1/4885CYP2C9 1672/4885DCAF15 4798/4885
US-20190092778-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 P2RX3 1/4885CYP2C9 1672/4885DCAF15 4798/4885
US-10611768-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 P2RX3 1/4885CYP2C9 1672/4885DCAF15 4798/4885
US-10174039-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 P2RX3 1/4885CYP2C9 1672/4885DCAF15 4798/4885

“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.