SCHEMBL4044008

SCHEMBL4044008

COC(=O)[C@H]1NCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.43
GRIA2 P42262 1/20 0.35
BRD4 O60885 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPKAPK5 Q8IW41 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6353034 0.79 MAPT (0.38) BRD4KMT2AALDH1A1
SCHEMBL6643857 0.78 MAPKAPK2 (0.42) MAPKAPK2GRIA2KMT2ACHRNB2CHRNA4
SCHEMBL4707813 0.78 MAPKAPK2 (0.42) MAPKAPK2GRIA2KMT2ACHRNB2CHRNA4
SCHEMBL30851512 0.76 MAPKAPK2 (0.40) MAPKAPK2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3214008 0.74 BRD4 (0.37) BRD4KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL1850871 0.74 MAPK1 (0.32)
SCHEMBL1162649 0.74
SCHEMBL1162329 0.74
SCHEMBL668162 0.74
Methyl Alcohol SCHEMBL7022791 0.73 BRD4 (0.36) BRD4KMT2ACHRNB2CHRNA4CHRNB4

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-109476658-B Substituted 5,6,7, 8-tetrahydro [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -ones and 2,5,6, 7-tetrahydro-3H-pyrrolo [2,1-c ] [1,2,4] triazol-3-ones and uses thereof 拜耳公司 2021-08-10 CN disclosed
CN-101143892-B Method for resolving enantiomer by enzyme catalysis BOEHRINGER INGELHEIM CA LTD 2010-12-08 CN disclosed
WO-2009103176-A1 NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS NEUROTUNE AG (CH) 2009-08-27 WO disclosed
CN-101143892-A Hepatitis c inhibitor tri-peptides BOEHRINGER INGELHEIM CA LTD (CA) 2008-03-19 CN disclosed
CN-100339389-C Hepatitis C tripeptide inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2007-09-26 CN disclosed
CN-1166690-C Hepatitis C inhibitor peptides ���ָ����Ӣ��ķ���ô����޹�˾ 2004-09-15 CN disclosed
US-6710064-B2 FOR THERAPY OF INFLAMMATORY OR IMMUNE DISEASES BRISTOL-MYERS SQUIBB CO. 2004-03-23 US disclosed
EP-1339718-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2003-09-03 EP disclosed
US-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US disclosed
WO-2002044181-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-06 WO disclosed
CN-1323316-A Hepatitis C tripeptide inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2001-11-21 CN disclosed
CN-1315965-A Hepatitis C inhibitor peptides BOEHRINGER INGELHEIM CA LTD (CA) 2001-10-03 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-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents HRH4, IL4I1, HRH2 MAPKAPK2 4531/4885GRIA2 3109/4885BRD4 1140/4885

“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.