SCHEMBL22105637

SCHEMBL22105637

CCN1c2nc(-c3ccc(OC4CCC4C)nc3)n(Cc3ccccc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ PDE4C Q08493 3/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE5A O76074 9/20 0.34
▸ ADORA3 P0DMS8 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BRD4 O60885 2/20 0.30
▸ BRD2 P25440 2/20 0.30
▸ BRD3 Q15059 2/20 0.30
▸ CREBBP Q92793 2/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30

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
SCHEMBL22105769 0.84 P2RX3 (0.41) PDE5AHRH3
SCHEMBL22105422 0.83 P2RX3 (0.37) HRH3
SCHEMBL24091844 0.81 P2RX3 (0.31) —
SCHEMBL22105424 0.81 TLR7 (0.35) HRH3
SCHEMBL22105768 0.79 P2RX3 (0.34) PDE5AHRH3
SCHEMBL24495629 0.78 TRPC5 (0.32) PDE5A
SCHEMBL22105641 0.78 ADORA3 (0.44) PDE5AADORA3MEN1KMT2A
SCHEMBL24495689 0.78 P2RX3 (0.35) PDE5A
SCHEMBL22105716 0.77 ADORA3 (0.33) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL22105553 0.76 ADORA3 (0.40) PDE4APDE4BPDE4CPDE4DPDE5A

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 PDE4A 756/4885PDE4B 718/4885PDE4C 783/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 PDE4A 682/4885PDE4B 717/4885PDE4C 547/4885

“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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