SCHEMBL4630787

SCHEMBL4630787

CC(=O)COc1cc(F)c(F)cc1N(C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GAA P10253 1/20 0.32
SCN9A Q15858 6/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CACNA1H O95180 1/20 0.31
LSS P48449 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3384185 0.70 PKM (0.46) HPGDKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL4630809 0.70 DRD2 (0.33)
SCHEMBL15197111 0.63 HPGD (0.55) HPGDKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL19584786 0.62 PTGDR2 (0.49) ALDH1A1MAPK1HSD17B10NPC1PTGDR2
SCHEMBL13254946 0.61 KDM4E (0.38) HPGDKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL31085238 0.60 LMNA (0.35) HPGDKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL12805307 0.60 MRGPRX4 (0.53) ALDH1A1PTGDR2
SCHEMBL25842210 0.60 NOTUM (0.53) MEN1KMT2A
SCHEMBL31085211 0.59 ALDH1A1 (0.36) HPGDKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL2955119 0.59 KMT2A (0.62) HPGDKDM4EALDH1A1HSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470103-B1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2008-05-14 EP disclosed
US-7153814-B2 Amidoacetonitrile derivatives NOVARTIS ANIMAL HEALTH US, INC. (US) 2006-12-26 US disclosed
US-20050059736-A1 Amidoacetonitrile derivatives NOVARTIS ANIMAL HEALTH US, INC. 2005-03-17 US disclosed
EP-1470103-A1 AMIDOACETONITRILE DERIVATIVES Novartis AG (CH) 2004-10-27 EP disclosed
WO-2003059868-A1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2003-07-24 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 (1 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-20050059736-A1 Amidoacetonitrile derivatives ARG1, NAT1, NMBR HPGD 2487/4885KDM4E 4454/4885ALDH1A1 776/4885

“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.