SCHEMBL7543839

SCHEMBL7543839

CCC(CC)(CO)CCC#N

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8208263 0.85 ALDH1A1 (0.39) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL13437589 0.84 TSHR (0.39) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL6986482 0.84 MEN1 (0.34) MEN1KMT2A
SCHEMBL3302109 0.78 TSHR (0.42) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL2151901 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2757913 0.74 MEN1 (0.34) MEN1KMT2ATSHRALDH1A1TDP1
Cyanate SCHEMBL28170473 0.74 CA1 (0.35) TSHRALDH1A1
SCHEMBL10114805 0.73 MEN1 (0.33) MEN1KMT2ATSHR
SCHEMBL19881255 0.73 MEN1 (0.37) MEN1KMT2ATSHR
SCHEMBL21561633 0.73 THRB (0.35) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 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-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MEN1 773/4885KMT2A 1875/4885TSHR 3942/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MEN1 773/4885KMT2A 1875/4885TSHR 3942/4885

“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.