SCHEMBL22105367

SCHEMBL22105367

Cc1nc(Cl)ccc1-c1nc2c(c(=O)n(CCCOC3CCCCO3)c(=O)n2C(C)C)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 15/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PDE5A O76074 2/20 0.38

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
SCHEMBL22105452 0.93 P2RX3 (0.47) P2RX3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL20653064 0.91 P2RX3 (0.44) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105591 0.90 P2RX3 (0.40) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105733 0.90 PDE5A (0.47) P2RX3PDE5A
SCHEMBL22105589 0.90 P2RX3 (0.40) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105826 0.90 P2RX3 (0.40) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105375 0.89 P2RX3 (0.41) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105735 0.89 P2RX3 (0.39) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105479 0.88 P2RX3 (0.39) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20653053 0.88 P2RX3 (0.44) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 9/4885ALDH1A1 869/4885MAPT 1725/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 P2RX3 24/4885ALDH1A1 1568/4885MAPT 3511/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 P2RX3 9/4885ALDH1A1 962/4885MAPT 2010/4885

“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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