SCHEMBL17205129

SCHEMBL17205129

Cn1c(=O)c2c(ncn2CC(=O)Nc2ccnc(-c3cnc(N4CC(C(F)(F)F)C4)nc3)n2)n(C)c1=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.55
PORCN Q9H237 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL18539048 0.96 TRPA1 (0.52) TRPA1PORCNRXFP1TP53CYP1A2
SCHEMBL17205435 0.95 TRPA1 (0.55) TRPA1PORCNRXFP1
SCHEMBL18539047 0.92 TRPA1 (0.53) TRPA1PORCNRXFP1
SCHEMBL18545319 0.91 TRPA1 (0.53) TRPA1PORCNRXFP1TP53CYP1A2
SCHEMBL17205581 0.91 TRPA1 (0.63) TRPA1PORCNRXFP1TP53CYP1A2
SCHEMBL17204953 0.88 TRPA1 (0.54) TRPA1PORCNRXFP1TP53CYP1A2
SCHEMBL23073719 0.87 TRPA1 (0.52) TRPA1PORCNRXFP1TP53CYP1A2
SCHEMBL18539044 0.87 TRPA1 (0.52) TRPA1PORCNRXFP1TP53CYP1A2
SCHEMBL17210345 0.86 TRPA1 (0.53) TRPA1PORCNRXFP1TP53CYP1A2
SCHEMBL17210348 0.86 TRPA1 (0.74) 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 1462/4885RXFP1 499/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 TRPA1 1/4885PORCN 1462/4885RXFP1 499/4885

“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.