SCHEMBL21499635

SCHEMBL21499635

CN1c2nc(OCCOc3cccc(C(F)(F)F)c3)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCO)C1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 12/20 0.43
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TRPC5 Q9UL62 3/20 0.37
▸ TRPC4 Q9UBN4 2/20 0.37
▸ TRPC1 P48995 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL19505310 0.91 TRPC5 (0.47) P2RX3TRPC5TRPC4TRPC1KCNH2
SCHEMBL21316284 0.90 TRPC5 (0.42) P2RX3KMT2ATRPC5TRPC4TRPC1
SCHEMBL21316296 0.85 TRPC5 (0.45) P2RX3TRPC5TRPC4TRPC1KCNH2
SCHEMBL19505606 0.85 TRPC5 (0.43) P2RX3TRPC5TRPC4TRPC1KCNH2
SCHEMBL21499633 0.83 P2RX3 (0.39) P2RX3TRPC5TRPC4TRPC1
SCHEMBL21316305 0.83 TRPC5 (0.43) P2RX3TRPC5TRPC4TRPC1KCNH2
SCHEMBL19560542 0.82 TRPC4 (0.44) P2RX3TRPC5TRPC4TRPC1KCNH2
SCHEMBL19505055 0.82 TRPC5 (0.56) P2RX3TRPC5TRPC4TRPC1KCNH2
SCHEMBL19505293 0.81 ADORA1 (0.38) P2RX3KMT2AKDM4EALDH1A1LMNA
SCHEMBL19560561 0.81 MAOB (0.44) P2RX3

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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 — — US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 — — US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 — — 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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 P2RX3 30/4885KMT2A 4201/4885KDM4E 3549/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 P2RX3 30/4885KMT2A 4201/4885KDM4E 3549/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 P2RX3 30/4885KMT2A 4201/4885KDM4E 3549/4885

“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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