SCHEMBL4770832

SCHEMBL4770832

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.41
CETP P11597 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.40
F2R P25116 1/20 0.39
RECQL P46063 1/20 0.39
GPR35 Q9HC97 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
FPR2 P25090 1/20 0.37

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
SCHEMBL21503645 0.85 CETP (0.49) KDM4EMDM4TP53GAACETP
SCHEMBL30987572 0.80 HDAC1 (0.51) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL21802753 0.80 HDAC1 (0.51) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL410861 0.78 KDM4E (0.72) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL12780368 0.77 RECQL (0.61) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL28355716 0.75 KMT2A (0.46) KDM4ENPC1RAB9AMDM4TP53
SCHEMBL14254804 0.74 MAPT (0.59) KDM4EMDM4TP53GAACETP
SCHEMBL13009070 0.73 PKM (0.47) KDM4EMDM4TP53GAACETP
SCHEMBL21802755 0.73 NPC1 (0.41) KDM4ENPC1RAB9ATP53GAA
SCHEMBL25804814 0.73 NPC1 (0.55) KDM4ENPC1RAB9AGAAALDH1A1

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 KDM4E 1703/4885NPC1 364/4885RAB9A 2637/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KDM4E 1703/4885NPC1 364/4885RAB9A 2637/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KDM4E 1703/4885NPC1 364/4885RAB9A 2637/4885

“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.