SCHEMBL22105452

SCHEMBL22105452

Cc1nc(Cl)ccc1-c1nc2c(c(=O)n(CCCOC3CCCCO3)c(=O)n2C(C)C)n1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 17/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL22105367 0.93 P2RX3 (0.43) P2RX3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL22105785 0.91 P2RX3 (0.44) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL22105575 0.90 P2RX3 (0.45) P2RX3
SCHEMBL22105468 0.90 P2RX3 (0.44) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL22111541 0.90 P2RX3 (0.51) P2RX3NPSR1
SCHEMBL20653062 0.90 P2RX3 (0.46) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL22105461 0.89 P2RX3 (0.44) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL22105810 0.88 P2RX3 (0.42) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL22105736 0.88 P2RX3 (0.44) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL20652978 0.88 P2RX3 (0.47) P2RX3NPSR1

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 9/4885NPSR1 184/4885ALDH1A1 869/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 P2RX3 24/4885NPSR1 289/4885ALDH1A1 1568/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 P2RX3 9/4885NPSR1 208/4885ALDH1A1 962/4885

“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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