SCHEMBL14735410

SCHEMBL14735410

COc1ccc2c(c1CCCCN1CCN(C(=O)OC(C)(C)C)CC1)OCC2=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT5A Q9NQR1 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ DRD2 P14416 4/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ EPHX2 P34913 3/20 0.38
▸ TLR9 Q9NR96 2/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ SUV39H2 Q9H5I1 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE11A Q9HCR9 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL14735456 0.97 TLR8 (0.42) KMT5ACD274TLR8DRD2CHRM2
SCHEMBL14734906 0.88 CHRM2 (0.41) CD274CHRM2CHRM4CHRM1CHRM3
SCHEMBL14735270 0.86 GPR119 (0.47) PDE4B
SCHEMBL14735488 0.85 GPR119 (0.47) PDE4B
SCHEMBL14735501 0.83 GPR119 (0.44) PDE4BALDH1A1
SCHEMBL14735402 0.81 CHRM2 (0.38) KMT5ACD274DRD2CHRM2CHRM4
SCHEMBL14735393 0.80 GPR119 (0.43) PDE4BPDE11APDE10AALDH1A1
SCHEMBL14735036 0.80 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3EPHX2
SCHEMBL18864111 0.79 CHRM2 (0.44) KMT5ACHRM2CHRM4CHRM1CHRM3
SCHEMBL14734959 0.79 MMP2 (0.41) KMT5ACHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 KMT5A 1498/4885CD274 624/4885TLR8 4320/4885

“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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