SCHEMBL20652950

SCHEMBL20652950

CC(C)N1CN(CCCO)C(=O)c2c1nc(-c1cccnc1OCC1CC1)n2Cc1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.35
▸ FFAR4 Q5NUL3 4/20 0.34
▸ P2RX3 P56373 1/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ USP1 O94782 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.30
▸ MDM2 Q00987 1/20 0.30
▸ KDM4C Q9H3R0 2/20 0.30
▸ KDM5A P29375 1/20 0.30

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
SCHEMBL24095603 0.87 FFAR4 (0.34) P2RX7FFAR4P2RX3ALOX5APFEN1
SCHEMBL20652951 0.78 FFAR4 (0.36) P2RX7FFAR4P2RX3ALOX5APFEN1
SCHEMBL20656237 0.77 P2RX3 (0.42) P2RX3
SCHEMBL24095552 0.74 CACNA2D1 (0.34) FFAR4P2RX3USP1PDE10AMDM2
SCHEMBL20652800 0.73 ENPP2 (0.32) P2RX3
SCHEMBL20652818 0.73 CNR2 (0.35) P2RX3USP1MDM2
SCHEMBL20652731 0.71 PKM (0.40) FFAR4P2RX3USP1MDM2
SCHEMBL20652824 0.71 ACACB (0.32) —
SCHEMBL20652748 0.71 ALDH1A1 (0.40) P2RX7FFAR4ALOX5APFEN1USP1
SCHEMBL20655938 0.71 ACHE (0.34) FFAR4P2RX3USP1MDM2

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 P2RX7 26/4885FFAR4 872/4885P2RX3 21/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 P2RX7 26/4885FFAR4 700/4885P2RX3 19/4885

“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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