SCHEMBL293013

SCHEMBL293013

[CH2]COc1c(C)cccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.52
LMNA P02545 2/20 0.52
SCN1A P35498 2/20 0.52
SCN5A Q14524 2/20 0.52
SCN9A Q15858 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
NFKB1 P19838 2/20 0.52
TSHR P16473 2/20 0.52
SCN8A Q9UQD0 2/20 0.52
CYP2C9 P11712 1/20 0.52
KCNK3 O14649 1/20 0.52
CACNA1F O60840 1/20 0.52
KCNK2 O95069 1/20 0.52
GBA1 P04062 1/20 0.52
MAOA P21397 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52

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
Aluminum Chloride Anhydrous SCHEMBL28726861 0.91 SCN4A (0.46) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL6481244 0.81 ALDH1A1 (0.50) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL3049215 0.80 SCN4A (0.52) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL6470644 0.79 ALDH1A1 (0.53) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL22696387 0.79 SCN4A (0.56) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL11125768 0.79 SMN1; SMN2 (0.42) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL9665266 0.78 SCN5A (0.39) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL2819383 0.78 ALDH1A1 (0.53) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL2094083 0.77 SCN4A (0.54) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL147753 0.77 SCN4A (0.54) SCN4ALMNASCN1ASCN5ASCN9A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
US-11603355-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-03-14 US disclosed
EP-4118070-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2023-01-18 EP disclosed
US-11332446-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-05-17 US disclosed
EP-3938345-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2022-01-19 EP disclosed
US-20210309623-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-10-07 US disclosed
WO-2021183639-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2021-09-16 WO disclosed
US-20210284610-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-09-16 US disclosed
US-10968179-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-04-06 US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-4027028-A HYPOTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1977-05-31 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 (8 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-20210309623-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPV2 SCN4A 83/4885LMNA 2067/4885SCN1A 66/4885
US-11603355-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 SCN4A 80/4885LMNA 2685/4885SCN1A 43/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 SCN4A 180/4885LMNA 4573/4885SCN1A 48/4885
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 SCN4A 80/4885LMNA 2685/4885SCN1A 43/4885
US-20210284610-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPV2 SCN4A 83/4885LMNA 2067/4885SCN1A 66/4885
US-11332446-B2 Charged ion channel blockers and methods for use TRPV1, TRPV5, TRPV2 SCN4A 83/4885LMNA 2067/4885SCN1A 66/4885
US-10968179-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 SCN4A 80/4885LMNA 2685/4885SCN1A 43/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 SCN4A 2314/4885LMNA 4687/4885SCN1A 3162/4885

“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.