SCHEMBL9944762

SCHEMBL9944762

CCNc1cc(N2CCOCC2)c(C(=O)OCC)cc1N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.46
LGMN Q99538 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
PIK3CA P42336 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9944865 0.90 LMNA (0.49) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL9946569 0.88 GAA (0.47) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL9944877 0.85 ALDH1A1 (0.46) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL9944873 0.84 ALDH1A1 (0.39) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL9944772 0.83 ALDH1A1 (0.53) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL4100817 0.77 GAA (0.53) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL15487529 0.77 GAA (0.58) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL9944760 0.75 ALDH1A1 (0.47) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL9944864 0.75 ALDH1A1 (0.54) GAALMNAALDH1A1HPGDPOLB
SCHEMBL9947058 0.75 ALDH1A1 (0.36) GAALMNAALDH1A1HSD17B10L3MBTL1

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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US disclosed
WO-2016113167-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (2 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X GAA 494/4885LMNA 284/4885KDM4E 4386/4885
US-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES GAA 1609/4885LMNA 1817/4885KDM4E 3442/4885

“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.