SCHEMBL20652818

SCHEMBL20652818

CC(C)N1c2nc(-c3cc(F)cnc3OCC3CC3)n(Cc3ccccc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34
▸ P2RX3 P56373 2/20 0.33
▸ USP1 O94782 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PDE5A O76074 4/20 0.32
▸ MDM2 Q00987 1/20 0.31
▸ HTR2A P28223 2/20 0.31
▸ HTR4 Q13639 2/20 0.31
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL20656170 0.89 P2RX3 (0.34) CNR2ADORA3P2RX3USP1PTGS1
SCHEMBL24095603 0.86 FFAR4 (0.34) P2RX3USP1MDM2
SCHEMBL20656237 0.83 P2RX3 (0.42) P2RX3
SCHEMBL20655938 0.81 ACHE (0.34) CNR2P2RX3USP1PTGS1PTGS2
SCHEMBL20652824 0.81 ACACB (0.32) ADORA3PDE5A
SCHEMBL20656198 0.79 P2RX3 (0.38) P2RX3
SCHEMBL24095552 0.79 CACNA2D1 (0.34) CNR2P2RX3USP1MDM2
SCHEMBL20652800 0.78 ENPP2 (0.32) P2RX3
SCHEMBL20652947 0.78 ADORA3 (0.43) ADORA3P2RX3USP1
SCHEMBL24095969 0.75 P2RX3 (0.36) P2RX3USP1

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 CNR2 184/4885ADORA3 352/4885P2RX3 21/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 CNR2 158/4885ADORA3 366/4885P2RX3 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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