SCHEMBL20653056

SCHEMBL20653056

CC(C)n1c(=O)n(CCCOC2CCCCO2)c(=O)c2c1nc(-c1ccc(F)nc1OCC1CC1)n2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 15/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL20653063 0.95 P2RX3 (0.43) P2RX3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL20656216 0.94 P2RX3 (0.40) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20653068 0.91 P2RX3 (0.43) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20652933 0.91 P2RX3 (0.41) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20653053 0.90 P2RX3 (0.44) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20652796 0.90 P2RX3 (0.42) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20652979 0.88 P2RX3 (0.42) P2RX3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL24095610 0.88 P2RX3 (0.42) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20652948 0.86 ADORA3 (0.41) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20652794 0.86 P2RX3 (0.45) P2RX3ALDH1A1MAPTSMN1; SMN2LMNA

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
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 — — EP disclosed
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 21/4885ALDH1A1 1347/4885MAPT 1268/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 P2RX3 19/4885ALDH1A1 1488/4885MAPT 1549/4885

“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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