SCHEMBL21963099

SCHEMBL21963099

CC(CCC(N)=O)CC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
ECE1 P42892 2/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36

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
SCHEMBL7530291 0.87 BLM (0.50) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL12627579 0.86 BHMT (0.47) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL13971414 0.86 ALDH1A1 (0.44) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL3392036 0.81 ALDH1A1 (0.38) ALOX15BLMPMP22ECE1ALDH1A1
SCHEMBL25381976 0.81 BMP1 (0.47) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL27986981 0.81 TSHR (0.41) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL11415147 0.80
SCHEMBL6206024 0.80
SCHEMBL17664580 0.80
SCHEMBL3681639 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170870-B Synthesis method of 3-methyl-1, 6-hexamethylenediamine 安徽中羰碳一工业技术有限责任公司 2023-06-30 CN claimed
CN-111170870-A Synthetic method of 3-methyl-1, 6-hexanediamine 安徽中羰碳一工业技术有限责任公司 2020-05-19 CN claimed
EP-4667054-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2025-12-24 EP disclosed
EP-3880660-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2025-07-02 EP disclosed
CN-113166065-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2025-04-15 CN disclosed
CN-111170870-B Synthesis method of 3-methyl-1, 6-hexamethylenediamine 安徽中羰碳一工业技术有限责任公司 2023-06-30 CN disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
EP-3880660-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113166065-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-07-23 CN disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
CN-111170870-A Synthetic method of 3-methyl-1, 6-hexanediamine 安徽中羰碳一工业技术有限责任公司 2020-05-19 CN 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALOX15 393/4885BLM 2167/4885PMP22 3199/4885

“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.