SCHEMBL13307459

SCHEMBL13307459

COC(=O)C(C)CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.39
CHRNA4 P43681 6/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ESRRB O95718 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA14 Q9ULX7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
UTS2R Q9UKP6 2/20 0.33

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
SCHEMBL15382926 0.88 CA1 (0.37) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL22857667 0.83 SMN1; SMN2 (0.34) CHRNB2CHRNA4SMN1; SMN2CA1CA2
SCHEMBL7105090 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ESRRBCA1CA2CA14
SCHEMBL10469243 0.79 SLC22A1 (0.38) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL801049 0.78 ABCB1 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL5218474 0.77
SCHEMBL29531261 0.77 SMN1; SMN2 (0.39) CHRNB2CHRNA4SMN1; SMN2ESRRBCA1
SCHEMBL29531381 0.77 SMN1; SMN2 (0.39) CHRNB2CHRNA4SMN1; SMN2ESRRBCA1
SCHEMBL7136164 0.77 SMN1; SMN2 (0.39) CHRNB2CHRNA4SMN1; SMN2ESRRBCA1
SCHEMBL28472989 0.77 CHRNB2 (0.39) CHRNB2CHRNA4SMN1; SMN2CA1CA2

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-20230130822-A1 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF ADVANCION CORPORATION 2023-04-27 US disclosed
US-20230130822-A1 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF ADVANCION CORPORATION 2023-04-27 US disclosed
WO-2021163348-A2 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF ANGUS CHEMICAL COMPANY (US) 2021-08-19 WO disclosed
EP-2013202-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-06-16 EP 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-20230130822-A1 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF NME4, NMBR, NMUR1 CHRNB2 253/4885CHRNA4 576/4885CHRM2 452/4885

“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.