SCHEMBL21499650

SCHEMBL21499650

CCOc1nc2c(n1Cc1ccccc1)C(=O)N(CCCO)C1OC1N2CC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 0.41
▸ ADORA3 P0DMS8 2/20 0.37
▸ P2RX3 P56373 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.33

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
SCHEMBL19505418 0.89 PDE5A (0.42) PDE5AADORA3P2RX3MEN1KMT2A
SCHEMBL21499644 0.83 PDE5A (0.40) PDE5AP2RX3TSHR
SCHEMBL21499684 0.80 P2RX3 (0.44) PDE5AP2RX3
SCHEMBL19505412 0.80 TRPC4 (0.41) PDE5AP2RX3TSHR
SCHEMBL19505352 0.76 PDE5A (0.33) PDE5A
SCHEMBL21499639 0.76 PDE5A (0.39) PDE5AADORA3P2RX3MEN1KMT2A
SCHEMBL19505233 0.76 P2RX3 (0.45) PDE5AP2RX3
SCHEMBL19505499 0.76 PDE5A (0.31) PDE5A
SCHEMBL19374881 0.76 P2RX3 (0.44) PDE5AP2RX3
SCHEMBL18834232 0.74 P2RX3 (0.43) PDE5AP2RX3

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 PDE5A 461/4885ADORA3 449/4885P2RX3 30/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PDE5A 461/4885ADORA3 449/4885P2RX3 30/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE5A 461/4885ADORA3 449/4885P2RX3 30/4885

“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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