SCHEMBL920485

SCHEMBL920485

O=C(O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 16/20 0.59
L3MBTL1 Q9Y468 14/20 0.59
MBTD1 Q05BQ5 5/20 0.59
TP53BP1 Q12888 2/20 0.56
L3MBTL4 Q8NA19 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL3155682 1.00 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL18241088 0.98 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2862492 0.98 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4334091 0.93 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL27821605 0.88 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2550326 0.86 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3401436 0.85 L3MBTL3 (0.57) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL29676554 0.85 L3MBTL3 (0.57) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3400330 0.85 L3MBTL3 (0.57) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL6806463 0.84 L3MBTL3 (0.61) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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 399 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 EP claimed
EP-2880046-B1 NOVEL CHARTREUSIN ANALOGUES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE (DE) 2016-12-21 EP claimed
US-9522930-B2 Chartreusin analogues LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE (DE) 2016-12-20 US claimed
US-20150197539-A1 NOVEL CHARTREUSIN ANALOGUES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE (DE) 2015-07-16 US claimed
US-8779138-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2014-07-15 US claimed
US-8563537-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2013-10-22 US claimed
WO-2012134446-A1 EPIANDROSTERONE AND/OR ANDROSTERONE DERIVATIVES AND METHOD OF USE THEREOF SUTTER WEST BAY HOSPITALS doing business as CALIFORNIA PACIFIC MEDICAL CENTER (US) 2012-10-04 WO claimed
CN-101481377-B Chemical semisynthesis process of irinotecan SHANGHAI LONGXIANG BIOLOG MEDICINE DEV CO LTD 2012-08-15 CN claimed
US-20110184009-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2011-07-28 US claimed
US-7875602-B2 Camptothecin-based compounds are modified by positioning at least one electron-affinic group around the camptothecin structure to enhance their value in cancer treatment in combination with radiotherapy; less toxic SUTTER WEST BAY HOSPITALS (US) 2011-01-25 US claimed
WO-2007048002-A2 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MEDICAL CENTER (US) 2007-04-26 WO claimed
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents CALIFORNIA PACIFIC MEDICAL CENTER 2007-04-26 US claimed
EP-1383772-B1 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2006-08-30 EP claimed
US-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER 2006-01-05 US claimed
US-6933302-B2 Nitrogen-based homo-camptothecin derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-08-23 US claimed
US-6825207-B2 ANTICANCER AGENTS CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US claimed
US-20040063740-A1 For treatment of cancer SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-04-01 US claimed
US-20040034050-A1 Homo-camptothecin derivatives CATHOLIC HEALTHCARE WEST, DOING BUSINESS AS ST. MARY'S MEDICAL CENTER OF SAN FRANCISCO 2004-02-19 US claimed
WO-2003101998-A1 NITROGEN-BASED HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO claimed
WO-2003101406-A1 HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 L3MBTL3 4286/4885L3MBTL1 3541/4885MBTD1 460/4885
US-20040063740-A1 For treatment of cancer MGMT, PAICS, DCK L3MBTL3 3261/4885L3MBTL1 3543/4885MBTD1 4452/4885
US-20150197539-A1 NOVEL CHARTREUSIN ANALOGUES CYP17A1, CYP27A1, CYP46A1 L3MBTL3 4777/4885L3MBTL1 4759/4885MBTD1 2713/4885
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents ERCC2, CHEK1, ERCC4 L3MBTL3 1559/4885L3MBTL1 1052/4885MBTD1 902/4885
US-20040034050-A1 Homo-camptothecin derivatives CYP8B1, HCAR3, MTHFD2 L3MBTL3 1180/4885L3MBTL1 830/4885MBTD1 3047/4885
US-20110184009-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS ERCC2, CHEK1, ERCC4 L3MBTL3 1559/4885L3MBTL1 1052/4885MBTD1 902/4885

“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.