SCHEMBL14735402

SCHEMBL14735402

COc1ccc2c(c1C#CCCN1CCN(C(=O)OC(C)(C)C)CC1)OCC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ SUV39H2 Q9H5I1 2/20 0.37
▸ KMT5A Q9NQR1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ PDE4B Q07343 3/20 0.36
▸ PDE11A Q9HCR9 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ UTS2R Q9UKP6 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP13 P45452 1/20 0.34

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
SCHEMBL14734959 0.91 MMP2 (0.41) CHRM2CHRM4CHRM1CHRM3SUV39H2
SCHEMBL14735601 0.86 GPR119 (0.42) ALDH1A1PDE4BMEN1KMT2APDE4A
SCHEMBL14735000 0.84 GPR119 (0.41) ALDH1A1PDE4BMEN1KMT2APDE4A
SCHEMBL14735456 0.83 TLR8 (0.42) CHRM2CHRM4CHRM1CHRM3SUV39H2
SCHEMBL14735244 0.82 MEN1 (0.37) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14734906 0.81 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3SUV39H2
SCHEMBL14735410 0.81 KMT5A (0.42) CHRM2CHRM4CHRM1CHRM3SUV39H2
SCHEMBL14735277 0.80 ALDH2 (0.42) ALDH1A1PDE4BMEN1KMT2APDE4A
SCHEMBL18864094 0.80 ABCB1 (0.39) CHRM2CHRM4CHRM1CHRM3SUV39H2
SCHEMBL14887070 0.79 STS (0.40) ALDH1A1PDE4BMEN1KMT2APDE4A

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 CHRM2 2956/4885CHRM4 3326/4885CHRM1 1260/4885

“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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