SCHEMBL16135142

SCHEMBL16135142

COc1ccc2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.58
PDE10A Q9Y233 2/20 0.49
GRM1 Q13255 10/20 0.48
GRM5 P41594 9/20 0.48
HTR6 P50406 1/20 0.46
JAK1 P23458 1/20 0.46
NAMPT P43490 1/20 0.45
SCN9A Q15858 1/20 0.44

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
SCHEMBL16135232 0.87 PDK4 (0.52) PDK4PDE10AGRM1GRM5HTR6
SCHEMBL16107306 0.86 PDK4 (0.40) PDK4PDE10A
SCHEMBL14591413 0.84 PDK4 (0.61) PDK4PDE10AGRM1GRM5HTR6
SCHEMBL4251137 0.84 CNR1 (0.50) PDK4PDE10AGRM1GRM5HTR6
SCHEMBL31639861 0.83 PDK4 (0.53) PDK4GRM1GRM5HTR6JAK1
SCHEMBL19097424 0.82 PDK4 (0.53) PDK4GRM1GRM5HTR6JAK1
SCHEMBL31288575 0.82 GRM1 (0.57) PDK4PDE10AGRM1GRM5HTR6
SCHEMBL16422787 0.82 GRM1 (0.57) PDK4PDE10AGRM1GRM5HTR6
SCHEMBL24394241 0.81 PDK4 (0.57) PDK4PDE10AGRM1GRM5HTR6
SCHEMBL31082802 0.81 HTR6 (0.48) PDK4GRM1GRM5HTR6JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296528-A1 4-ARYL-1-(BIARYLMETHYLENE) PIPERIDINE COMPOUNDS KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2014-10-02 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-20140296528-A1 4-ARYL-1-(BIARYLMETHYLENE) PIPERIDINE COMPOUNDS HTR2C, HTR3C, HTR1D PDK4 1790/4885PDE10A 2943/4885GRM1 317/4885

“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.