SCHEMBL14734906

SCHEMBL14734906

COc1ccc2c(c1CN1CCN(C(=O)OC(C)(C)C)CC1)OCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ PDE4B Q07343 3/20 0.40
▸ VEGFA P15692 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4C Q08493 2/20 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
SCHEMBL14735139 0.90 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL14735036 0.89 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3PDE4B
SCHEMBL14735456 0.88 TLR8 (0.42) CHRM2CHRM4CHRM1CHRM3PDE4B
SCHEMBL14735118 0.88 LTB4R (0.39) CHRM2CHRM4CHRM1CHRM3PDE4B
SCHEMBL14735205 0.88 VEGFA (0.43) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL14735410 0.88 KMT5A (0.42) CHRM2CHRM4CHRM1CHRM3PDE4B
SCHEMBL14734978 0.86 MRGPRX4 (0.46) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL14735231 0.85 ABCB1 (0.41) CHRM2CHRM4CHRM1CHRM3PDE4B
SCHEMBL18890841 0.85 USP30 (0.39) PDE4BPDE11APDE10AALDH1A1PDE4A
SCHEMBL14735201 0.84 PARP1 (0.43) CHRM2CHRM4CHRM1CHRM3VEGFA

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-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 — — US disclosed
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 CHRM2 4870/4885CHRM4 4867/4885CHRM1 4860/4885
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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