SCHEMBL20652979

SCHEMBL20652979

CC(C)n1c(=O)n(CCCOC2CCCCO2)c(=O)c2c1nc(-c1cccnc1OCC1CC1)n2Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 17/20 0.42
▸ PKM P14618 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL20652933 0.94 P2RX3 (0.41) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL20652799 0.93 P2RX3 (0.41) P2RX3PKMNPSR1ALDH1A1LMNA
SCHEMBL20655925 0.92 P2RX3 (0.41) P2RX3PKMNPSR1ALDH1A1LMNA
SCHEMBL20653063 0.92 P2RX3 (0.43) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL20653069 0.91 P2RX3 (0.44) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL20652978 0.91 P2RX3 (0.47) P2RX3PKMNPSR1
SCHEMBL20652794 0.89 P2RX3 (0.45) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL20652963 0.88 P2RX3 (0.40) P2RX3
SCHEMBL20652796 0.88 P2RX3 (0.42) P2RX3NPSR1ALDH1A1LMNAMAPT
SCHEMBL20653056 0.88 P2RX3 (0.41) P2RX3NPSR1ALDH1A1LMNAMAPT

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 21/4885PKM 1869/4885NPSR1 349/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 P2RX3 19/4885PKM 2064/4885NPSR1 389/4885

“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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