SCHEMBL6185852

SCHEMBL6185852

CC(C)(C)OC(=O)NCC1(CO)Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.44
IDO1 P14902 1/20 0.41
DRD2 P14416 3/20 0.41
KDM4A O75164 1/20 0.40
EPHX2 P34913 1/20 0.40
GHSR Q92847 1/20 0.40
SYK P43405 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PDK2 Q15119 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL6183787 0.80 NAMPT (0.43) NAMPTIDO1DRD2KDM4AEPHX2
SCHEMBL510027 0.79 TDP1 (0.46) DRD2TDP1
SCHEMBL6184913 0.76 NAMPT (0.41) NAMPTIDO1DRD2KDM4AEPHX2
SCHEMBL7611276 0.76 TDP1 (0.44) DRD2TDP1
SCHEMBL12598988 0.76 TDP1 (0.44) DRD2NPFFR1NPFFR2TDP1
SCHEMBL31235367 0.75 HCRTR2 (0.43) NAMPTTDP1
SCHEMBL30096683 0.75 TDP1 (0.42) SYKTDP1
SCHEMBL21607436 0.75 TDP1 (0.42) DRD2TDP1
SCHEMBL25698477 0.74 AKT1 (0.45) IDO1SYKNPFFR1NPFFR2
SCHEMBL25698474 0.74 AKT1 (0.45) IDO1SYKNPFFR1NPFFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256166-A1 Nitrogen-containing compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 EP 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-20050256166-A1 Nitrogen-containing compounds DPP4, DPP3, DPP8 NAMPT 212/4885IDO1 425/4885DRD2 3114/4885

“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.