SCHEMBL17205140

SCHEMBL17205140

COC(=O)[C@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.46
PORCN Q9H237 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2B P29275 1/20 0.39

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
SCHEMBL17205138 1.00 TRPA1 (0.46) TRPA1PORCNSMN1; SMN2HPGDPOLB
SCHEMBL17205414 0.86 TRPA1 (0.47) TRPA1PORCNSMN1; SMN2POLBMEN1
SCHEMBL17205416 0.86 TRPA1 (0.47) TRPA1PORCNSMN1; SMN2POLBMEN1
SCHEMBL28771624 0.86 SMN1; SMN2 (0.55) TRPA1PORCNSMN1; SMN2POLBMEN1
SCHEMBL17210370 0.86 SMN1; SMN2 (0.55) TRPA1PORCNSMN1; SMN2POLBMEN1
SCHEMBL15891082 0.86 SMN1; SMN2 (0.55) TRPA1PORCNSMN1; SMN2POLBMEN1
SCHEMBL19396095 0.79 TRPA1 (0.59) TRPA1SMN1; SMN2ADORA2B
SCHEMBL25246010 0.78 TRPA1 (0.58) TRPA1SMN1; SMN2ADORA2B
SCHEMBL17609832 0.77 TRPA1 (0.55) TRPA1
SCHEMBL17609834 0.77 TRPA1 (0.55) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
EP-3134410-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Hydra Biosciences, Inc. (US) 2017-03-01 EP disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 WO disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 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 (2 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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 TRPA1 1/4885PORCN 1462/4885SMN1; SMN2 713/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 TRPA1 1/4885PORCN 1462/4885SMN1; SMN2 713/4885

“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.