SCHEMBL4775482

SCHEMBL4775482

CC(C)C(=O)Nc1cc(C2CCNCC2)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.41
TLR9 Q9NR96 4/20 0.38
TLR8 Q9NR97 4/20 0.38
TLR7 Q9NYK1 4/20 0.38
KDM4E B2RXH2 2/20 0.36
ACLY P53396 1/20 0.35
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
MDM4 O15151 1/20 0.34
HTR1F P30939 1/20 0.34
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
MAP4K1 Q92918 1/20 0.33
RPS6KA3 P51812 1/20 0.33
POLB P06746 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL5342788 0.90 DRD2 (0.38) WDR5TLR9TLR8TLR7KDM4E
SCHEMBL5345157 0.81 DRD2 (0.47) KDM4ENMT2NMT1
SCHEMBL27640735 0.81 DRD2 (0.47) TLR9TLR8TLR7
SCHEMBL5660577 0.77 MDM4 (0.50) TP53MDM4MAP4K1POLB
SCHEMBL4770244 0.77 DRD2 (0.41)
SCHEMBL4765040 0.75 KDM4E (0.35) TLR8TLR7KDM4E
SCHEMBL21503645 0.75 CETP (0.49) KDM4ETP53MDM4POLB
SCHEMBL5515435 0.74 HTR2C (0.52) TP53MDM4
SCHEMBL5662799 0.72 EPHX1 (0.46)
SCHEMBL4617058 0.71 DRD2 (0.50) KDM4E

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 1169/4885TLR9 996/4885TLR8 1561/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R WDR5 1169/4885TLR9 996/4885TLR8 1561/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R WDR5 1169/4885TLR9 996/4885TLR8 1561/4885

“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.