SCHEMBL19795387

SCHEMBL19795387

NCc1cn(-c2ccc(C(F)(F)F)nc2)nc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.48
MPO P05164 2/20 0.38
DHFR P00374 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
FGFR1 P11362 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL19795021 0.86 TRPA1 (0.50) TRPA1TRPV4FGFR1
SCHEMBL16635640 0.85 TRPA1 (0.48) TRPA1DHFRTRPV4
SCHEMBL21010418 0.82 TRPA1 (0.43) TRPA1MPOFGFR1KCNH2
SCHEMBL16635584 0.82 TRPA1 (0.52) TRPA1
Hydrochloric Acid SCHEMBL16635785 0.81 TRPA1 (0.51) TRPA1
SCHEMBL16634952 0.81 TRPA1 (0.51) TRPA1DHFR
SCHEMBL19795386 0.75 TRPA1 (0.42) TRPA1DHFRTRPV4
SCHEMBL30744419 0.74 LOXL2 (0.41) TRPA1DHFRTRPV4
SCHEMBL21491786 0.74 LOXL2 (0.41) TRPA1DHFRTRPV4
SCHEMBL20997430 0.74 TRPA1 (0.45) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
CN-109476640-B Bicyclic proline compounds 豪夫迈·罗氏有限公司 2022-02-25 CN disclosed
CN-109476628-B Sulfonylcycloalkylamide compounds as TRPA1 modulators 豪夫迈·罗氏有限公司 2022-01-11 CN disclosed
US-10766878-B2 Sulfonylcycloalkyl carboxamide compounds GENENTECH, INC. (US) 2020-09-08 US disclosed
US-10766878-B2 Sulfonylcycloalkyl carboxamide compounds GENENTECH, INC. (US) 2020-09-08 US disclosed
US-10597383-B2 Bicyclic proline compounds GENENTECH, INC. (US) 2020-03-24 US disclosed
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS GENENTECH, INC. (US) 2019-05-16 US disclosed
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS GENENTECH, INC. (US) 2019-05-16 US disclosed
US-20190144430-A1 SULFONYLCYCLOALKYL CARBOXAMIDE COMPOUNDS GENENTECH, INC. (US) 2019-05-16 US disclosed
US-20190144430-A1 SULFONYLCYCLOALKYL CARBOXAMIDE COMPOUNDS GENENTECH, INC. (US) 2019-05-16 US disclosed
WO-2018015410-A1 BICYCLIC PROLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 WO disclosed
WO-2018015411-A1 SULFONYLCYCLOALKYL CARBOXAMIDE COMPOUNDS AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 WO 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 (4 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-20190144430-A1 SULFONYLCYCLOALKYL CARBOXAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 TRPA1 1/4885MPO 3226/4885DHFR 3741/4885
US-10597383-B2 Bicyclic proline compounds TRPA1, TRPV1, TRPV5 TRPA1 1/4885MPO 958/4885DHFR 2228/4885
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS TRPA1, TRPV1, TRPV5 TRPA1 1/4885MPO 958/4885DHFR 2228/4885
US-10766878-B2 Sulfonylcycloalkyl carboxamide compounds TRPA1, TRPV1, TRPV5 TRPA1 1/4885MPO 3226/4885DHFR 3741/4885

“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.