SCHEMBL21499642

SCHEMBL21499642

CC(O)CN1C(=O)c2c(nc(Oc3cccc(OC(F)(F)F)c3)n2Cc2ccc(F)cc2)N(C)C1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.44
▸ TRPC1 P48995 1/20 0.43
▸ TRPC4 Q9UBN4 1/20 0.43
▸ TRPC5 Q9UL62 1/20 0.43
▸ HCRTR1 O43613 12/20 0.39
▸ HCRTR2 O43614 12/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ P2RX7 Q99572 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
SCHEMBL21316294 0.94 TRPC5 (0.50) P2RX3TRPC1TRPC4TRPC5ENPP2
SCHEMBL19375596 0.88 TRPC5 (0.50) P2RX3TRPC1TRPC4TRPC5ENPP2
SCHEMBL19375184 0.87 TRPC5 (0.49) P2RX3TRPC1TRPC4TRPC5CETP
SCHEMBL18834464 0.86 TRPC1 (0.42) P2RX3TRPC1TRPC4TRPC5HCRTR1
SCHEMBL21316291 0.86 TRPC5 (0.54) P2RX3TRPC1TRPC4TRPC5HCRTR1
SCHEMBL19560554 0.84 TRPC1 (0.49) P2RX3TRPC1TRPC4TRPC5HCRTR1
SCHEMBL19375620 0.84 KCNH2 (0.37) P2RX3TRPC1TRPC4TRPC5HCRTR1
SCHEMBL19505055 0.83 TRPC5 (0.56) P2RX3TRPC1TRPC4TRPC5HCRTR1
SCHEMBL21499665 0.83 TRPC5 (0.51) P2RX3TRPC1TRPC4TRPC5HCRTR1
SCHEMBL19505138 0.83 TRPC5 (0.43) P2RX3TRPC1TRPC4TRPC5HCRTR1

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 30/4885TRPC1 4/4885TRPC4 3/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 P2RX3 30/4885TRPC1 4/4885TRPC4 3/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 P2RX3 30/4885TRPC1 4/4885TRPC4 3/4885

“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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