SCHEMBL22105375

SCHEMBL22105375

Cc1nc(Cl)ccc1-c1nc2c(c(=O)n(CCCOC3CCCCO3)c(=O)n2C2CCC2)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 12/20 0.41
▸ LMNA P02545 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PDE5A O76074 2/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL22105463 0.90 LMNA (0.39) P2RX3LMNATHRBNPSR1L3MBTL1
SCHEMBL22105733 0.90 PDE5A (0.47) P2RX3PDE5A
SCHEMBL22105367 0.89 P2RX3 (0.43) P2RX3LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL22105793 0.84 P2RX3 (0.49) P2RX3PDE5A
SCHEMBL22105575 0.83 P2RX3 (0.45) P2RX3PDE5A
SCHEMBL22105586 0.83 P2RX3 (0.43) P2RX3PDE5A
SCHEMBL22105387 0.82 PDE5A (0.43) P2RX3LMNATHRBNPSR1L3MBTL1
SCHEMBL22105452 0.82 P2RX3 (0.47) P2RX3LMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL22105564 0.81 PDE5A (0.45) P2RX3LMNAMAPK1PDE5A
SCHEMBL22105415 0.80 PDE5A (0.45) P2RX3LMNAMAPK1PDE5A

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 P2RX3 9/4885LMNA 1434/4885THRB 1157/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 P2RX3 24/4885LMNA 1486/4885THRB 879/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 P2RX3 9/4885LMNA 1713/4885THRB 1427/4885

“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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