SCHEMBL14735205

SCHEMBL14735205

CC(C)(C)OC(=O)N1CCN(Cc2c(O)ccc3c2OCC3=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ KMT2A Q03164 8/20 0.42
▸ KDM4E B2RXH2 8/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ PSMB5 P28074 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ IDO2 Q6ZQW0 1/20 0.40
▸ TERT O14746 1/20 0.39
▸ MEN1 O00255 7/20 0.39
▸ NPSR1 Q6W5P4 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ USP2 O75604 3/20 0.38

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
SCHEMBL14735201 0.96 PARP1 (0.43) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL14734906 0.88 CHRM2 (0.41) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL14735139 0.86 CHRM2 (0.40) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL18890837 0.84 SMARCA2 (0.40) PSMB5SMARCA2SMARCA4PBRM1
SCHEMBL14735118 0.84 LTB4R (0.39) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL14735036 0.83 CHRM2 (0.38) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL18863989 0.83 GPR119 (0.44) KDM4EMAPTPSMB5
SCHEMBL14735352 0.83 PSMB5 (0.48) KMT2AKDM4EALDH1A1MAPTGAA
SCHEMBL14734890 0.82 VEGFA (0.48) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL14734978 0.82 MRGPRX4 (0.46) VEGFAEGLN1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 — — US disclosed
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 — — EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 — — US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 — — US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 — — EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 — — US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 — — US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 — — 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 (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-20170145005-A1 KINASE INHIBITOR PIM3, PIM1, PIM2 VEGFA 3696/4885EGLN1 1995/4885CHRM2 4870/4885
US-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 VEGFA 2323/4885EGLN1 394/4885CHRM2 2956/4885

“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.

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