SCHEMBL20652776

SCHEMBL20652776

CC(C)N1c2nc(-c3nccnc3OCC3CC3)n(Cc3ccccc3)c2C(=O)N(CCCOC2CCCCO2)C1O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 18/20 0.38
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL20656198 0.87 P2RX3 (0.38) P2RX3
SCHEMBL24095615 0.79 ALDH1A1 (0.39) P2RX3MEN1KMT2A
SCHEMBL20653052 0.79 P2RX3 (0.35) P2RX3
SCHEMBL24095610 0.78 P2RX3 (0.42) P2RX3
SCHEMBL20656235 0.77 P2RX3 (0.36) P2RX3
SCHEMBL20656224 0.76 P2RX3 (0.46) P2RX3
SCHEMBL20655938 0.76 ACHE (0.34) P2RX3
SCHEMBL20652792 0.76 PDE5A (0.43) P2RX3
SCHEMBL20656170 0.74 P2RX3 (0.34) P2RX3
SCHEMBL20652818 0.73 CNR2 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329292-B2 Substituted xanthine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-25 — — US disclosed
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — 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 (2 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-10329292-B2 Substituted xanthine derivatives TRPC5, TRPV1, TRPC4 P2RX3 21/4885MEN1 4272/4885KMT2A 4180/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 P2RX3 19/4885MEN1 4447/4885KMT2A 4155/4885

“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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