SCHEMBL2850188

SCHEMBL2850188

CC(C)(C)OC(=O)NCCCNCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.51
PAOX Q6QHF9 1/20 0.48
LMNA P02545 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
DRD2 P14416 10/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL9093109 0.92 CD274 (0.53) CD274PAOXLMNATDP1DRD2
SCHEMBL39968 0.89 LMNA (0.58) CD274LMNADRD2ALDH1A1GAA
SCHEMBL39934 0.89 CD274 (0.60) CD274LMNATDP1DRD2
SCHEMBL31436045 0.83 BRD4 (0.49) CD274LMNADRD2
SCHEMBL4753694 0.82 CD274 (0.54) CD274LMNATDP1DRD2ALDH1A1
SCHEMBL12330919 0.81 LMNA (0.52) CD274LMNADRD2ALDH1A1GAA
SCHEMBL13075277 0.80 DRD2 (0.56) CD274MAOAMAOBTDP1DRD2
SCHEMBL4755773 0.80 CD274 (0.55) CD274LMNATDP1DRD2
SCHEMBL1557057 0.80 TDP1 (0.67) MAOAMAOBTDP1GAA
SCHEMBL4118080 0.79 DRD2 (0.49) MAOAMAOBTDP1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 CD274 912/4885PAOX 3620/4885LMNA 4054/4885

“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.