SCHEMBL4765033

SCHEMBL4765033

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
F2R P25116 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34
MLYCD O95822 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
KCNJ11 Q14654 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL320568 0.77 KMT2A (0.51) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL4770832 0.71 KDM4E (0.48) KDM4EKMT2AF2RALDH1A1L3MBTL1
SCHEMBL27877744 0.71 POLB (0.40) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL4765040 0.70 KDM4E (0.35) KDM4ENPSR1
SCHEMBL7330899 0.70 KDM4E (0.51) KDM4EKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12780361 0.69 KMT2A (0.50) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21503655 0.69 KMT2A (0.55) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21503645 0.69 CETP (0.49) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL20744382 0.69 KDM4E (0.40) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22430504 0.68 KMT2A (0.44) KDM4EKMT2AMEN1CYP1A2CYP2C9

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 10 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
CN-1735595-A Substituted alkyl amido piperidines LUNDBECK & CO AS H (DK) 2006-02-15 CN 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 1703/4885KMT2A 1399/4885MEN1 293/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KDM4E 1703/4885KMT2A 1399/4885MEN1 293/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KDM4E 1703/4885KMT2A 1399/4885MEN1 293/4885

“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.