SCHEMBL22105366

SCHEMBL22105366

CCn1c(=O)n(CCCO)c(=O)c2c1nc(-c1ccc(OC3CCC3C)nc1C)n2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.45
▸ PDE5A O76074 4/20 0.45
▸ ADORA1 P30542 3/20 0.42
▸ ADORA2A P29274 2/20 0.39
▸ ADORA2B P29275 1/20 0.39

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
SCHEMBL22105515 0.93 TRPC5 (0.42) ADORA3PDE5A
SCHEMBL22105516 0.93 PDE5A (0.39) ADORA3PDE5AADORA1
SCHEMBL22105501 0.93 PDE5A (0.39) ADORA3PDE5AADORA1
SCHEMBL22105378 0.91 ADORA3 (0.42) ADORA3PDE5AADORA1ADORA2AADORA2B
SCHEMBL22105532 0.90 ADORA3 (0.41) ADORA3PDE5A
SCHEMBL22105397 0.89 PDE5A (0.48) ADORA3PDE5AADORA1ADORA2A
SCHEMBL22105701 0.89 PDE5A (0.50) ADORA3PDE5AADORA1ADORA2A
SCHEMBL22105395 0.89 TRPC5 (0.41) ADORA3PDE5A
SCHEMBL22105555 0.89 ADORA3 (0.46) ADORA3PDE5AADORA1ADORA2AADORA2B
SCHEMBL22105459 0.89 ADORA3 (0.46) ADORA3PDE5AADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 — — EP disclosed
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-09 — — US disclosed
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
WO-2020120450-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — WO 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 (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-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 ADORA3 114/4885PDE5A 468/4885ADORA1 109/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 ADORA3 175/4885PDE5A 354/4885ADORA1 217/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 ADORA3 150/4885PDE5A 380/4885ADORA1 138/4885

“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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