SCHEMBL21499648

SCHEMBL21499648

COc1nc2c(n1Cc1ccc(Cl)cc1)C(=O)N(CCCO)C(O)N2C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.40
▸ TRPC5 Q9UL62 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PDE5A O76074 4/20 0.39
▸ P2RX3 P56373 12/20 0.38
▸ TRPC1 P48995 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ ADORA3 P0DMS8 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
SCHEMBL18834916 0.92 TRPC4 (0.45) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL20432432 0.91 PDE5A (0.37) TRPC5PDE5AP2RX3ADORA3
SCHEMBL19374881 0.90 P2RX3 (0.44) TRPC4TRPC5KCNH2PDE5AP2RX3
SCHEMBL19505572 0.90 TRPC4 (0.47) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL21499643 0.89 P2RX3 (0.45) TRPC4TRPC5KCNH2P2RX3
SCHEMBL21316297 0.89 TRPC4 (0.42) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL21499654 0.89 P2RX3 (0.40) TRPC4TRPC5KCNH2PDE5AP2RX3
SCHEMBL21316262 0.89 P2RX3 (0.41) TRPC4TRPC5KCNH2PDE5AP2RX3
SCHEMBL19505500 0.88 TRPC5 (0.50) TRPC4TRPC5KCNH2P2RX3TRPC1
SCHEMBL20432022 0.88 TRPC4 (0.42) TRPC4TRPC5KCNH2P2RX3TRPC1

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 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885

“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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