SCHEMBL2883989

SCHEMBL2883989

CC(=O)CC(=O)OC(C)CN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 2/20 0.53
KDM4E B2RXH2 2/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 1/20 0.47

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
SCHEMBL11283213 0.84 TSHR (0.55) L3MBTL1SMN1; SMN2NPSR1TSHR
SCHEMBL6836054 0.83 NPC1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL6836087 0.83 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL13985770 0.77 L3MBTL1 (0.51) L3MBTL1ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL15025300 0.77 L3MBTL1 (0.51) L3MBTL1ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL13985577 0.76 NPC1 (0.55) L3MBTL1ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL13985581 0.75 NPC1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL4532507 0.75 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL27621187 0.75 MEN1 (0.57) L3MBTL1ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL13985569 0.74 NPC1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
EP-1537081-B1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-10-15 EP disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
EP-1537081-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2005-06-08 EP disclosed
WO-2004020412-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 WO disclosed
WO-2004020412-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 WO disclosed
US-4038399-A 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4031104-A ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed
US-3996234-A CORONARY VESSEL DILATORS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed
US-3974275-A 1,4-Dihydropyridine carboxylic acid esters useful as coronary vessel dilators and anti-hypertensives BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US 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-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors SERPINB1, ELANE, MPO L3MBTL1 4487/4885ALDH1A1 400/4885SMN1; SMN2 2778/4885

“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.