SCHEMBL22194401

SCHEMBL22194401

N#C[C@H]1[C@H]2CN(c3cc(F)ccn3)C[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.39
▸ CHI3L1 P36222 1/20 0.36
▸ CHIT1 Q13231 1/20 0.36
▸ CHIA Q9BZP6 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PREP P48147 2/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ROCK1 Q13464 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
SCHEMBL22194400 1.00 TRPA1 (0.39) TRPA1CHI3L1CHIT1CHIAHRH3
SCHEMBL22194403 1.00 TRPA1 (0.39) TRPA1CHI3L1CHIT1CHIAHRH3
SCHEMBL22194620 0.82 ATM (0.44) TRPA1CHI3L1CHIT1CHIADPP4
SCHEMBL29539849 0.82 ATM (0.44) TRPA1CHI3L1CHIT1CHIADPP4
SCHEMBL22194619 0.82 ATM (0.44) TRPA1CHI3L1CHIT1CHIADPP4
SCHEMBL22194434 0.82 ATM (0.44) TRPA1CHI3L1CHIT1CHIADPP4
SCHEMBL28725141 0.82 ATM (0.44) TRPA1CHI3L1CHIT1CHIADPP4
SCHEMBL22210084 0.80 CHI3L1 (0.41) TRPA1CHI3L1CHIT1CHIAHRH3
SCHEMBL22210064 0.76 TRPA1 (0.41) TRPA1CHI3L1CHIT1CHIAHRH3
SCHEMBL22194396 0.72 BPTF (0.46) 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 — — 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885CHI3L1 3281/4885CHIT1 4569/4885

“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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