SCHEMBL22105755

SCHEMBL22105755

CCC(C)N1c2nc(-c3ccc(OC4CCC4)nc3C)n(Cc3ccccc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 14/20 0.34
▸ P2RX3 P56373 3/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ USP1 O94782 1/20 0.31
▸ PDE2A O00408 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 0.99 P2RX3 (0.32) PDE5AP2RX3ADORA3PDE4APDE4B
SCHEMBL22105851 0.92 ADORA3 (0.32) ADORA3
SCHEMBL24092237 0.91 P2RX3 (0.35) PDE5AP2RX3ADORA3PDE4APDE4B
SCHEMBL24495686 0.87 PDE5A (0.37) PDE5AP2RX3ADORA3PDE4APDE4B
SCHEMBL22105531 0.87 ADORA3 (0.33) PDE5AADORA3PDE4APDE4BPDE4C
SCHEMBL24092238 0.86 P2RX3 (0.35) P2RX3
SCHEMBL22105423 0.82 P2RX3 (0.35) PDE5AP2RX3
SCHEMBL22105716 0.81 ADORA3 (0.33) PDE5AADORA3PDE4APDE4BPDE4C
SCHEMBL22105742 0.80 P2RX3 (0.33) PDE5AP2RX3
SCHEMBL22105553 0.78 ADORA3 (0.40) PDE5AADORA3PDE4APDE4BPDE4C

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 2 patents. 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
US-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — 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 (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-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 PDE5A 468/4885P2RX3 9/4885ADORA3 114/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 PDE5A 354/4885P2RX3 24/4885ADORA3 175/4885

“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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