SCHEMBL12376478

SCHEMBL12376478

COC(=O)C(C)(CCN1CCC(NC(=O)c2ccc(N)c(OC)c2)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 0.49
MCHR1 Q99705 2/20 0.45
KCNA3 P22001 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR1D P28221 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3A P46098 1/20 0.44
ACHE P22303 1/20 0.43
SSTR5 P35346 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13667126 0.86 HTR4 (0.53) HTR4MCHR1CHRM4CHRM5ADRA2C
SCHEMBL13635104 0.83 HTR4 (0.56) HTR4MCHR1CHRM4CHRM5ADRA2C
SCHEMBL12377356 0.83 HTR4 (0.53) HTR4MCHR1CHRM4CHRM5ADRA2C
SCHEMBL13634964 0.82 HTR4 (0.49) HTR4MCHR1CHRM4CHRM5ADRA2C
SCHEMBL13634894 0.81 HTR4 (0.51) HTR4MCHR1CHRM4CHRM5ADRA2C
SCHEMBL3546076 0.81 HDAC4 (0.52) ALDH1A1
SCHEMBL1560209 0.81 HTR4 (0.64) HTR4MCHR1CHRM4CHRM5ADRA2C
SCHEMBL12825887 0.81 HTR4 (0.66) HTR4MCHR1CHRM4CHRM5ADRA2C
SCHEMBL12426368 0.81 HPGDS (0.47) HTR4
SCHEMBL1560585 0.80 HTR4 (0.58) HTR4MCHR1CHRM4CHRM5ADRA2C

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-20110190306-A1 Inhibitors of PLK CHROMA THERAPEUTICS LTD. (GB) 2011-08-04 US disclosed
WO-2009130453-A1 INHIBITORS OF PLK CHROMA THERAPEUTICS LTD. (GB) 2009-10-29 WO 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-20110190306-A1 Inhibitors of PLK PLK3, PLK2, PLK4 HTR4 1456/4885MCHR1 4122/4885KCNA3 1665/4885

“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.