SCHEMBL23237684

SCHEMBL23237684

Cc1ccc([C@@H](O)Cc2noc(CCl)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 17/20 0.46
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL23209150 0.87 TRPA1 (0.53) TRPA1
SCHEMBL23209149 0.87 TRPA1 (0.53) TRPA1
SCHEMBL23239259 0.86 TRPA1 (0.45) TRPA1
SCHEMBL24689347 0.86 TRPA1 (0.42) TRPA1
SCHEMBL24689137 0.85 MAPT (0.45) TRPA1
SCHEMBL23237637 0.80 TRPA1 (0.47) TRPA1
SCHEMBL23237543 0.77 TRPA1 (0.45) TRPA1
SCHEMBL23239264 0.77 TRPA1 (0.49) TRPA1SMN1; SMN2
SCHEMBL25968549 0.76 TRPA1 (0.55) TRPA1
SCHEMBL18704236 0.75 TRPA1 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858921-B2 Uracil derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-01-02 US disclosed
US-11858921-B2 Uracil derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-01-02 US disclosed
US-20220340590-A1 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-10-27 US disclosed
US-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 US disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 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 (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-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 TRPA1 1/4885SMN1; SMN2 1490/4885NPSR1 1267/4885
US-20220340590-A1 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885SMN1; SMN2 1114/4885NPSR1 285/4885
US-11858921-B2 Uracil derivatives as TRPA1 inhibitors TRPA1, TRPV1, TRPM6 TRPA1 1/4885SMN1; SMN2 962/4885NPSR1 1363/4885
US-11136336-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 TRPA1 1/4885SMN1; SMN2 1670/4885NPSR1 1249/4885

“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.