SCHEMBL22432014

SCHEMBL22432014

CCCCC(CC)c1csc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.39
NR1I2 O75469 1/20 0.36
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL22692934 0.93 CA2 (0.41) CA2
SCHEMBL24272221 0.89 CA2 (0.31) CA2
SCHEMBL23057961 0.77 CA2 (0.38) CA2NR1I2
SCHEMBL23317392 0.76 NR1I2 (0.41) CA2NR1I2
SCHEMBL25003473 0.73 CA2 (0.40) CA2
SCHEMBL23079347 0.70 CA2 (0.38) CA2
SCHEMBL23332699 0.70 CA2 (0.38) CA2
SCHEMBL8730390 0.69 NR1I2 (0.47) NR1I2
SCHEMBL20862381 0.69 PLAT (0.44) NR1I2KDM4E
SCHEMBL22845183 0.69 DAO (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 US disclosed
US-10968179-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-04-06 US disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 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 (3 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-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 CA2 154/4885NR1I2 1922/4885KDM4E 3130/4885
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 CA2 185/4885NR1I2 1763/4885KDM4E 2621/4885
US-10968179-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 CA2 185/4885NR1I2 1763/4885KDM4E 2621/4885

“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.