SCHEMBL16135232

SCHEMBL16135232

CCCCOc1ccc2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.52
PDE10A Q9Y233 2/20 0.47
GRM1 Q13255 7/20 0.44
GRM5 P41594 6/20 0.44
GPR119 Q8TDV5 1/20 0.44
EED O75530 2/20 0.43
RBBP4 Q09028 2/20 0.43
SUZ12 Q15022 2/20 0.43
EZH2 Q15910 2/20 0.43
SCN9A Q15858 1/20 0.43
HTR6 P50406 1/20 0.43
JAK1 P23458 1/20 0.42
BTK Q06187 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
SCHEMBL16135142 0.87 PDK4 (0.58) PDK4PDE10AGRM1GRM5SCN9A
SCHEMBL14591413 0.81 PDK4 (0.61) PDK4PDE10AGRM1GRM5SCN9A
SCHEMBL24394241 0.78 PDK4 (0.57) PDK4PDE10AGRM1GRM5SCN9A
SCHEMBL16887390 0.76 NAMPT (0.54) PDK4GRM1GRM5GPR119BTK
SCHEMBL26171707 0.75 PDE10A (0.44) PDK4PDE10AGRM1GRM5GPR119
SCHEMBL6847847 0.75 PDK4 (0.69) PDK4PDE10AGRM1GRM5SCN9A
SCHEMBL19297241 0.74 PDK4 (0.59) PDK4GRM1GRM5SCN9AHTR6
SCHEMBL19297152 0.74 PDK4 (0.59) PDK4PDE10AGRM1GRM5GPR119
SCHEMBL4251137 0.74 CNR1 (0.50) PDK4PDE10AGRM1GRM5EED
SCHEMBL19092559 0.74 PDK4 (0.58) PDK4PDE10AGRM1GRM5EED

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.