SCHEMBL1597437

SCHEMBL1597437

C=C(C)COCC[N+](C)(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
BBOX1 O75936 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL1598351 0.85 DNM1 (0.33) BBOX1
SCHEMBL4902055 0.81 CHRNB2 (0.34) CHRM1CHRM3CHRM2
SCHEMBL758122 0.80 CHRM5 (0.43) CHRM4CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL2798096 0.79 CHRNB2 (0.33) CHRM1CHRM3CHRM2
Iodide SCHEMBL10787028 0.78 CHRM5 (0.41) CHRM4CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL366719 0.78 CHRM5 (0.45) CHRM4CHRM1CHRM3CHRM2
Bromide SCHEMBL366431 0.78 GALR3 (0.45) CHRM4CHRM1CHRM3CHRM2
SCHEMBL4051767 0.78 DNM1 (0.35)
SCHEMBL10452395 0.77 CHRM1 (0.37) CHRM4CHRM1CHRM3BBOX1CHRM2
SCHEMBL16674081 0.74 CHRM1 (0.36) CHRM4CHRM1CHRM3BBOX1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232285-A1 Sulfonyl-1,2,4-triazole salts UNIVERSITE DE MONTREAL (CA) 2012-09-13 US disclosed
US-20110178306-A1 Sulphonyl-1,2,4-Triazole Salts PHOSTECH LITHIUM INC. (CA) 2011-07-21 US disclosed
US-7919629-B2 Sulphonyl-1,2,4-triazole salts PHOSTECH LITHIUM INC. (CA) 2011-04-05 US disclosed
US-20090292105-A1 SULPHONYL-1,2,4-TRIAZOLE SALTS PHOSTECH LITHIUM INC. (CA) 2009-11-26 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-20110178306-A1 Sulphonyl-1,2,4-Triazole Salts TST, STS, SQOR CHRM4 3045/4885CHRM1 3015/4885CHRM3 2096/4885
US-20090292105-A1 SULPHONYL-1,2,4-TRIAZOLE SALTS TST, STS, SQOR CHRM4 3045/4885CHRM1 3015/4885CHRM3 2096/4885
US-20120232285-A1 Sulfonyl-1,2,4-triazole salts STS, TST, FIS1 CHRM4 2430/4885CHRM1 2258/4885CHRM3 2126/4885

“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.