SCHEMBL23079421

SCHEMBL23079421

CCCCCCC(CCCC)c1csc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
NR1I2 O75469 1/20 0.35
SLC2A1 P11166 1/20 0.31

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
SCHEMBL23057961 0.89 CA2 (0.38) CA2NR1I2
SCHEMBL22435556 0.83 CA2 (0.40) CA2
SCHEMBL23057955 0.76 CA2 (0.44) CA2NR1I2
SCHEMBL23317632 0.76 CA2 (0.41) CA2NR1I2
SCHEMBL23057959 0.76 CA2 (0.41) CA2NR1I2
SCHEMBL22692959 0.74 CA2 (0.46) CA2NR1I2
SCHEMBL22432049 0.74 CA2 (0.42) CA2NR1I2SLC2A1
SCHEMBL22426550 0.74 CA2 (0.40) CA2NR1I2
SCHEMBL22435554 0.72 CA2 (0.40) CA2NR1I2
SCHEMBL22692934 0.72 CA2 (0.41) CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 US disclosed
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-03-11 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-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 CA2 154/4885NR1I2 1922/4885SLC2A1 3325/4885
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 CA2 296/4885NR1I2 1033/4885SLC2A1 2327/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 CA2 154/4885NR1I2 1922/4885SLC2A1 3325/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 CA2 296/4885NR1I2 1033/4885SLC2A1 2327/4885

“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.