SCHEMBL20787899

SCHEMBL20787899

Cc1cc(CN2C(=O)c3c(ncn3COCC[Si](C)(C)C)N(C)C2O)no1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.35
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ P2RX3 P56373 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 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
SCHEMBL21527477 0.83 ALDH1A1 (0.34) MAPTCREBBP
SCHEMBL20786627 0.77 DGAT1 (0.30) —
SCHEMBL21527513 0.72 TRPA1 (0.61) TRPA1
SCHEMBL20182610 0.71 MAPT (0.34) TRPA1MAPTRECQLGABRA5
SCHEMBL19399934 0.70 TRPA1 (0.63) TRPA1
SCHEMBL21609700 0.70 MAPT (0.40) TRPA1MAPTRECQLP2RX3GABRA5
SCHEMBL21527507 0.70 BRD4 (0.35) RECQLBRD4CREBBP
SCHEMBL21609659 0.69 TRPA1 (0.62) TRPA1
SCHEMBL17609505 0.69 TRPA1 (0.66) TRPA1
SCHEMBL20785620 0.68 TRPA1 (0.65) TRPA1

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-10221177-B2 Inhibiting the transient receptor potential A1 ion channel HYDRA BIOSCIENCES, INC. (US) 2019-03-05 — — 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-10221177-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 TRPA1 2/4885MAPT 2292/4885RECQL 2190/4885

“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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