SCHEMBL20652795

SCHEMBL20652795

CC(C)n1c(=O)n(CCCOC2CCCCO2)c(=O)c2c1ncn2Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 13/20 0.47
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36

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
SCHEMBL20656007 0.93 P2RX3 (0.44) P2RX3POLBHIF1ANPSR1ALDH1A1
SCHEMBL20652797 0.92 HIF1A (0.46) P2RX3KMT2APOLBHIF1ANPSR1
SCHEMBL22105587 0.89 P2RX3 (0.47) P2RX3KMT2APOLBHIF1ANPSR1
SCHEMBL20652978 0.81 P2RX3 (0.47) P2RX3NPSR1PKM
SCHEMBL20653062 0.81 P2RX3 (0.46) P2RX3KMT2ANPSR1ALDH1A1
SCHEMBL22105580 0.80 LMNA (0.49) P2RX3KMT2APOLBHIF1ANPSR1
SCHEMBL22105452 0.80 P2RX3 (0.47) P2RX3KMT2ANPSR1ALDH1A1
SCHEMBL22111541 0.80 P2RX3 (0.51) P2RX3NPSR1
SCHEMBL20652979 0.79 P2RX3 (0.42) P2RX3NPSR1ALDH1A1PKM
SCHEMBL20653069 0.79 P2RX3 (0.44) P2RX3NPSR1ALDH1A1L3MBTL1

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 4 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
WO-2019011802-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — WO 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 21/4885KMT2A 4180/4885POLB 4141/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 P2RX3 19/4885KMT2A 4155/4885POLB 4268/4885

“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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