SCHEMBL6928489

SCHEMBL6928489

Cc1cccc(C)c1OCCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 8/20 0.53
ALDH1A1 P00352 2/20 0.53
SCN8A Q9UQD0 6/20 0.52
LMNA P02545 3/20 0.52
SCN1A P35498 2/20 0.52
SCN5A Q14524 2/20 0.52
SCN9A Q15858 2/20 0.52
TSHR P16473 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
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

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
SCHEMBL10926972 0.94 ALDH1A1 (0.53) SCN4AALDH1A1SCN8ALMNASCN1A
SCHEMBL9201467 0.89 SCN4A (0.55) SCN4AALDH1A1SCN8ALMNASCN1A
SCHEMBL6373909 0.80 ALDH1A1 (0.55) SCN4AALDH1A1SCN8ALMNASCN1A
SCHEMBL4382775 0.80 ALDH1A1 (0.55) SCN4AALDH1A1SCN8ALMNASCN1A
SCHEMBL3400233 0.79 TSHR (0.54) SCN4AALDH1A1SCN8ALMNASCN1A
SCHEMBL10693012 0.79 HTR1B (0.42) SCN4AALDH1A1SCN8ALMNASCN1A
SCHEMBL23817559 0.78 ALDH1A1 (0.54) SCN4AALDH1A1SCN8ALMNASCN1A
SCHEMBL6470644 0.78 ALDH1A1 (0.53) SCN4AALDH1A1SCN8ALMNASCN1A
SCHEMBL10768133 0.78 ALDH1A1 (0.53) SCN4AALDH1A1SCN8ALMNASCN1A
SCHEMBL28042959 0.78 ALDH1A1 (0.53) SCN4AALDH1A1SCN8ALMNASCN1A

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-1365757-A1 NEW USE Isomex Limited (GB) 2003-12-03 EP claimed
WO-2002062328-A1 NEW USE ISOMEX LIMITED (GB) 2002-08-15 WO claimed
US-10577308-B2 Sodium channel modulators The Florey Institute (AU) 2020-03-03 US disclosed
EP-3297990-A1 SODIUM CHANNEL MODULATORS The Florey Institute Of Neuroscience And Mental Health (AU) 2018-03-28 EP disclosed
US-20180072656-A1 Sodium Channel Modulators THE UNIVERSITY OF MELBOURNE (AU) 2018-03-15 US disclosed
WO-2016149765-A1 SODIUM CHANNEL MODULATORS THE FLOREY INSTITUTE OF NEUROSCIENCE AND MENTAL HEALTH (AU) 2016-09-29 WO disclosed
EP-1365757-A1 NEW USE Isomex Limited (GB) 2003-12-03 EP disclosed
WO-2002062328-A1 NEW USE ISOMEX LIMITED (GB) 2002-08-15 WO disclosed
EP-0183147-A2 Beta-substituted aminophenethylazol derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-06-04 EP 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-20180072656-A1 Sodium Channel Modulators SCN1B, SCNN1G, SCN2B SCN4A 13/4885ALDH1A1 1159/4885SCN8A 16/4885
US-10577308-B2 Sodium channel modulators SCN1B, SCNN1G, SCN2B SCN4A 13/4885ALDH1A1 1159/4885SCN8A 16/4885

“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.