Butoxylate

Butoxylate

SCHEMBL1748460

CCCCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.[NaH]

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.80
OPRM1 P35372 3/20 0.80
CCR1 P32246 4/20 0.54
GAA P10253 1/20 0.52
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50

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
Butoxylate SCHEMBL241324 0.99 KCNA3 (0.82) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL23852174 0.99 KCNA3 (0.82) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL8976430 0.98 KCNA3 (0.80) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL21708440 0.98 KCNA3 (0.80) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL3940424 0.97 KCNA3 (0.79) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL3791589 0.95 KCNA3 (0.75) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL6257331 0.94 KCNA3 (0.74) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL8421013 0.94 KCNA3 (0.74) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL18249372 0.94 KCNA3 (0.74) KCNA3OPRM1CCR1GAA
Butoxylate SCHEMBL15862494 0.94 KCNA3 (0.74) KCNA3OPRM1CCR1GAAOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022052278-A1 ULTRAVIOLET CROSS-LINKED POLYPHOSPHAZENE, PREPARATION METHOD THEREFOR, USE THEREOF, TEMPERATURE MEASUREMENT OPTICAL FIBER HAVING COMPOSITE COATING USED IN LOW TEMPERATURE AND PREPARATION METHOD THEREFOR 东部超导科技(苏州)有限公司 2022-03-17 WO claimed
WO-2022052278-A1 ULTRAVIOLET CROSS-LINKED POLYPHOSPHAZENE, PREPARATION METHOD THEREFOR, USE THEREOF, TEMPERATURE MEASUREMENT OPTICAL FIBER HAVING COMPOSITE COATING USED IN LOW TEMPERATURE AND PREPARATION METHOD THEREFOR 东部超导科技(苏州)有限公司 2022-03-17 WO disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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 (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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 KCNA3 820/4885OPRM1 404/4885CCR1 2647/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 KCNA3 891/4885OPRM1 450/4885CCR1 3009/4885

“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.