SCHEMBL4765040

SCHEMBL4765040

CC(C)C(=O)Nc1c(F)cc(F)c(C2CCNCC2)c1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FPR1 P21462 3/20 0.32
FPR2 P25090 1/20 0.32
USP7 Q93009 1/20 0.32
DPP4 P27487 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4775482 0.75 WDR5 (0.41) KDM4ETLR8TLR7
SCHEMBL5345157 0.72 DRD2 (0.47) KDM4E
SCHEMBL27640735 0.72 DRD2 (0.47) TLR8TLR7
SCHEMBL5342788 0.71 DRD2 (0.38) KDM4ETLR8TLR7SLC6A2SLC6A4
SCHEMBL4765033 0.70 KDM4E (0.41) KDM4ENPSR1
SCHEMBL4769826 0.69 HTR6 (0.36) KDM4E
SCHEMBL4764984 0.67 NAMPT (0.56)
SCHEMBL31702082 0.67 POLB (0.42) KDM4ETLR8HSD17B10SLC6A2SLC6A4
SCHEMBL19069574 0.67 SLC6A2 (0.40) TLR8TLR7SLC6A2SLC6A4SLC6A3
SCHEMBL4791557 0.66 DRD2 (0.54)

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 9 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-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US 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 KDM4E 1703/4885TLR8 1561/4885TLR7 596/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KDM4E 1703/4885TLR8 1561/4885TLR7 596/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KDM4E 1703/4885TLR8 1561/4885TLR7 596/4885

“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.