SCHEMBL23754688

SCHEMBL23754688

CN(C)C(=O)CCC(C)(C)N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GRM4 Q14833 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA4 P43681 1/20 0.38
HSD17B10 Q99714 1/20 0.31
GGT1 P19440 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8570761 0.80 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4HSD17B10
SCHEMBL8024200 0.80 ALDH1A1 (0.36) ALDH1A1GRM4CHRNB2CHRNB4CHRNA4
SCHEMBL23771017 0.78 ALDH1A1 (0.46) ALDH1A1CHRNB2CHRNB4CHRNA4HSD17B10
SCHEMBL19634401 0.76 ALDH1A1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA4HSD17B10
SCHEMBL847978 0.75 ALDH1A1 (0.37) ALDH1A1GRM4CHRNB2CHRNB4CHRNA4
SCHEMBL10046557 0.74 ALDH1A1 (0.43) ALDH1A1CHRNB2CHRNB4CHRNA4HSD17B10
SCHEMBL14205962 0.74 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4HSD17B10
SCHEMBL14675377 0.73 ALDH1A1 (0.46) ALDH1A1CHRNB2CHRNB4CHRNA4HSD17B10
SCHEMBL22842728 0.73 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA4MEN1
SCHEMBL26417267 0.73 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA4HSD17B10

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
EP-4103550-A2 LOW TOXICITY NMP SUBSTITUTES AND THEIR PREPARATION ANGUS Chemical Company (US) 2022-12-21 EP disclosed
CN-115335360-A Low toxicity NMP substitutes and their preparation 安格斯化学公司 2022-11-11 CN disclosed
WO-2021163348-A2 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF ANGUS CHEMICAL COMPANY (US) 2021-08-19 WO 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 ALDH1A1 1133/4885GRM4 2035/4885CHRNB2 253/4885

“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.