SCHEMBL6184913

SCHEMBL6184913

COC=CC1(CNC(=O)OC(C)(C)C)Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.41
DRD2 P14416 6/20 0.39
IDO1 P14902 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
GHSR Q92847 1/20 0.38
KDM4A O75164 1/20 0.38
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
MAPK10 P53779 1/20 0.36
CTSK P43235 1/20 0.35

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 0.86 NAMPT (0.43) NAMPTDRD2IDO1NPFFR1NPFFR2
SCHEMBL6185852 0.76 NAMPT (0.44) NAMPTDRD2IDO1NPFFR1NPFFR2
SCHEMBL6184908 0.71 BRD4 (0.33) GHSREPHX2MAPK10
SCHEMBL6184906 0.71 BRD4 (0.33) GHSREPHX2MAPK10
SCHEMBL18563739 0.70 ALDH1A1 (0.44) NAMPTDRD2IDO1GHSRKDM4A
SCHEMBL30797333 0.69 NPFFR1 (0.65) NAMPTIDO1NPFFR1NPFFR2KDM4A
SCHEMBL16350191 0.68 GHSR (0.46) NAMPTDRD2GHSREPHX2MAPK10
SCHEMBL23874419 0.68 GHSR (0.35) NAMPTGHSREPHX2MAPK10
SCHEMBL16463082 0.68 EPHX2 (0.45) NAMPTDRD2GHSREPHX2MAPK10
SCHEMBL5416762 0.68 GHSR (0.52) NAMPTDRD2GHSREPHX2MAPK10

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 212/4885DRD2 3114/4885IDO1 425/4885

“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.