SCHEMBL13690271

SCHEMBL13690271

COc1c(C#N)cc(C2(C)CC2)cc1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ AR P10275 1/20 0.31
▸ SOS1 Q07889 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
SCHEMBL13690270 0.78 POLB (0.33) —
SCHEMBL14340660 0.78 ALOX5 (0.38) —
SCHEMBL13688745 0.77 PTGS2 (0.31) —
SCHEMBL14340635 0.74 — —
SCHEMBL13848757 0.71 MAPK14 (0.35) P2RX3P2RX2AR
SCHEMBL14364553 0.70 — —
SCHEMBL13843676 0.70 L3MBTL1 (0.40) —
SCHEMBL10322563 0.69 TPMT (0.41) —
SCHEMBL10322968 0.68 GLRA1 (0.47) P2RX3P2RX2AR
SCHEMBL14340663 0.67 NOTUM (0.35) —

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-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 — — US disclosed
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 — — 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 (1 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-20090023701-A1 Cytokine Inhibitors IL1B, TNF, IL1A P2RX3 1974/4885P2RX2 1830/4885AR 4211/4885

“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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