SCHEMBL24092237

SCHEMBL24092237

Cc1nc(OC2CCCCC2)ccc1-c1nc2c(n1Cc1ccccc1)C(=O)N(CCCO)C(O)N2C(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 9/20 0.35
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE5A O76074 7/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KLKB1 P03952 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
SCHEMBL22105361 0.93 P2RX3 (0.32) P2RX3PDE4APDE4BPDE4CPDE4D
SCHEMBL22105531 0.93 ADORA3 (0.33) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL22105755 0.91 PDE5A (0.34) P2RX3PDE4APDE4BPDE4CPDE4D
SCHEMBL24092238 0.91 P2RX3 (0.35) P2RX3
SCHEMBL24495686 0.87 PDE5A (0.37) P2RX3PDE4APDE4BPDE4CPDE4D
SCHEMBL22105851 0.85 ADORA3 (0.32) ADORA3
SCHEMBL22105742 0.83 P2RX3 (0.33) P2RX3PDE5A
SCHEMBL22105514 0.82 P2RX3 (0.32) P2RX3
SCHEMBL22105716 0.81 ADORA3 (0.33) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL22105423 0.80 P2RX3 (0.35) P2RX3PDE5A

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-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-14 — — 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-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 P2RX3 24/4885PDE4A 682/4885PDE4B 717/4885

“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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