SCHEMBL3329470

SCHEMBL3329470

CC(CN1c2ccccc2Sc2ccccc21)[N+](C)(C)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.61
PTGS2 P35354 2/20 0.61
CYP2D6 P10635 5/20 0.58
CHRM2 P08172 4/20 0.58
HTR1A P08908 4/20 0.58
ADRA2A P08913 4/20 0.58
CHRM1 P11229 4/20 0.58
DRD1 P21728 4/20 0.58
ADRA1A P35348 4/20 0.58
OPRM1 P35372 4/20 0.58
DRD3 P35462 4/20 0.58
KCNH2 Q12809 4/20 0.58
SLC6A2 P23975 3/20 0.58
SLC6A4 P31645 3/20 0.58
ALOX15 P16050 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 3/20 0.58
CYP1A2 P05177 3/20 0.58
SLC22A1 O15245 2/20 0.58

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
Thiazinamium SCHEMBL4425937 0.87 PTGS1 (0.65) PTGS1PTGS2CYP2D6CHRM2HTR1A
Thiazinamium SCHEMBL11619269 0.85 PTGS1 (0.63) PTGS1PTGS2CYP2D6CHRM2HTR1A
Thiazinamium SCHEMBL11617990 0.85 PTGS1 (0.63) PTGS1PTGS2CYP2D6CHRM2HTR1A
Thiazinamium SCHEMBL635014 0.85 PTGS1 (0.63) PTGS1PTGS2CYP2D6CHRM2HTR1A
Thiazinamium SCHEMBL29856760 0.85 PTGS1 (0.63) PTGS1PTGS2CYP2D6CHRM2HTR1A
SCHEMBL13257618 0.84 PTGS1 (0.61) PTGS1PTGS2CYP2D6CHRM2HTR1A
Bromide SCHEMBL22588368 0.83 PTGS1 (0.59) PTGS1PTGS2CYP2D6CHRM2HTR1A
Bromide SCHEMBL29392164 0.83 PTGS1 (0.59) PTGS1PTGS2CYP2D6CHRM2HTR1A
Thiazinamium SCHEMBL11613970 0.82 PTGS1 (0.55) PTGS1PTGS2CYP2D6CHRM2HTR1A
Bromide SCHEMBL29857119 0.81 PTGS1 (0.58) PTGS1PTGS2CYP2D6CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120756-A1 PHENOTHIAZINE MODULATORS OF H1 RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-13 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 (1 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-20100120756-A1 PHENOTHIAZINE MODULATORS OF H1 RECEPTORS HRH4, HRH2, HRH1 PTGS1 584/4885PTGS2 577/4885CYP2D6 472/4885

“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.