SCHEMBL3813394

SCHEMBL3813394

CCN(CC)CCOC(=O)c1ccccc1S

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 6/20 0.66
SCN2A Q99250 6/20 0.66
SCN3A Q9NY46 6/20 0.66
CHRM2 P08172 4/20 0.56
CHRM3 P20309 4/20 0.56
CHRM1 P11229 3/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2D6 P10635 3/20 0.56
LMNA P02545 3/20 0.56
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAOA P21397 2/20 0.52
HTR3A P46098 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
TSHR P16473 2/20 0.52
HTR2C P28335 1/20 0.52
CHRNA4 P43681 1/20 0.52
KCNH2 Q12809 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
SCHEMBL28109075 0.83 SCN1A (0.72) SCN1ASCN2ASCN3ACHRM2CHRM3
Detanosal SCHEMBL2110875 0.83 SCN1A (0.68) SCN1ASCN2ASCN3ACHRM2CHRM3
SCHEMBL9219907 0.82 ALDH1A1 (0.76) CHRM1KDM4ELMNAALDH1A1CYP3A4
Detanosal SCHEMBL30397539 0.82 SCN1A (0.66) SCN1ASCN2ASCN3ACHRM2CHRM3
SCHEMBL4644788 0.82 SCN1A (0.66) SCN1ASCN2ASCN3ACHRM2CHRM3
SCHEMBL21705597 0.82 SCN1A (0.66) SCN1ASCN2ASCN3ACHRM2CHRM3
Detanosal SCHEMBL29163805 0.82 SCN1A (0.66) SCN1ASCN2ASCN3ACHRM2CHRM3
SCHEMBL29155869 0.81 SCN1A (0.64) SCN1ASCN2ASCN3ACHRM2CHRM3
SCHEMBL2457943 0.80 TSHR (0.77) KDM4ECYP2D6LMNACYP1A2ALDH1A1
SCHEMBL9576565 0.79 SCN1A (0.63) SCN1ASCN2ASCN3ACHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US claimed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US claimed

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-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SCN1A 846/4885SCN2A 918/4885SCN3A 1200/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SCN1A 846/4885SCN2A 918/4885SCN3A 1200/4885

“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.