SCHEMBL18864111

SCHEMBL18864111

C=C(CN1CCN(C(=O)OC(C)(C)C)CC1)c1c(OC)ccc2c1OCC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.38
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE11A Q9HCR9 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE4A P27815 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ TERT O14746 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ DTYMK P23919 1/20 0.36
▸ STS P08842 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
SCHEMBL18864151 0.87 MRGPRX4 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL14734906 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14734959 0.80 MMP2 (0.41) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL18864094 0.80 ABCB1 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14735456 0.80 TLR8 (0.42) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14735410 0.79 KMT5A (0.42) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14735402 0.79 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL14735401 0.77 ALDH1A1 (0.37) ALDH1A1F13A1TGM2TGM1PDE4B
SCHEMBL14735473 0.76 MEN1 (0.47) ALDH1A1PDE4BMEN1KMT2APDE4A
SCHEMBL14735393 0.76 GPR119 (0.43) ALDH1A1PDE4BPDE11APDE10AMEN1

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 2 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

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-20170145005-A1 KINASE INHIBITOR PIM3, PIM1, PIM2 CHRM2 4870/4885CHRM4 4867/4885CHRM1 4860/4885

“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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