SCHEMBL4770186

SCHEMBL4770186

CC(C)C(=O)Nc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.51
PDK4 Q16654 1/20 0.49
JAK1 P23458 1/20 0.45
GRM5 P41594 5/20 0.44
GRM1 Q13255 5/20 0.44
CDK7 P50613 1/20 0.44
CDK13 Q14004 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
NAMPT P43490 1/20 0.44
CDK9 P50750 3/20 0.44
CCNT1 O60563 1/20 0.44
TNF P01375 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
CNR1 P21554 1/20 0.42
HTR6 P50406 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
SCHEMBL5660055 0.82 PDK4 (0.62) PDK4JAK1GRM5GRM1CDK7
SCHEMBL4765134 0.81 PDK4 (0.46) WDR5PDK4JAK1GRM5GRM1
SCHEMBL5660054 0.80 PDK4 (0.48) WDR5PDK4JAK1GRM5GRM1
SCHEMBL3988084 0.80 PDK4 (0.48) WDR5PDK4JAK1GRM5GRM1
SCHEMBL22391820 0.80 PDK4 (0.53) WDR5PDK4JAK1GRM5GRM1
SCHEMBL24670264 0.80 WDR5 (0.49) WDR5PDK4JAK1GRM5GRM1
SCHEMBL24670170 0.78 WDR5 (0.53) WDR5PDK4JAK1GRM5GRM1
SCHEMBL29803388 0.78 WDR5 (0.53) WDR5PDK4JAK1GRM5GRM1
SCHEMBL24670885 0.78 CDK9 (0.51) WDR5PDK4JAK1GRM5GRM1
SCHEMBL5658952 0.78 NAMPT (0.53) PDK4JAK1GRM5GRM1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 EP disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 US disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 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 (3 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-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R WDR5 1169/4885PDK4 1779/4885JAK1 297/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R WDR5 1169/4885PDK4 1779/4885JAK1 297/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R WDR5 1169/4885PDK4 1779/4885JAK1 297/4885

“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.