SCHEMBL20642314

SCHEMBL20642314

CCc1cc(C(C)C)ncc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.36
▸ P2RX2 Q9UBL9 2/20 0.36
▸ GRIN2B Q13224 6/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ RXRA P19793 3/20 0.31
▸ GRIN1 Q05586 3/20 0.31
▸ MAP3K12 Q12852 1/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL20642400 0.79 P2RX3 (0.35) P2RX3P2RX2TAAR1
SCHEMBL18068013 0.78 P2RX3 (0.35) P2RX3P2RX2GRIN2BRXRAGRIN1
SCHEMBL20642318 0.76 NOS3 (0.32) P2RX3P2RX2GRIN2BKCNH2
SCHEMBL24759678 0.75 NOS3 (0.39) P2RX3P2RX2GRIN2BGRIN1
SCHEMBL21076469 0.74 — —
SCHEMBL18791405 0.74 NOS3 (0.32) —
SCHEMBL19508069 0.73 P2RX3 (0.35) P2RX3P2RX2
SCHEMBL21076527 0.73 NOS3 (0.35) —
SCHEMBL23231054 0.72 NOS3 (0.41) —
SCHEMBL12749936 0.70 NOS3 (0.36) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 — — 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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 P2RX3 32/4885P2RX2 27/4885GRIN2B 1203/4885

“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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