SCHEMBL4922008

SCHEMBL4922008

CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)NCC1C2CN(Cc3ccccc3)CC12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.51
PTPN1 P18031 2/20 0.51
NAMPT P43490 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CXCR3 P49682 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL4914651 0.89 HDAC8 (0.50) HDAC8PTPN1NAMPTNPSR1
SCHEMBL4650250 0.87 CFTR (0.43) NPSR1TDP1OPRD1
SCHEMBL4912811 0.84 HDAC8 (0.49) HDAC8PTPN1NAMPTTDP1OPRD1
SCHEMBL4925914 0.82 HDAC8 (0.48) HDAC8PTPN1NAMPTNPSR1
SCHEMBL6238826 0.82 HDAC8 (0.70) HDAC8PTPN1NAMPTNPSR1CXCR3
SCHEMBL4649139 0.80 NAMPT (0.43) HDAC8PTPN1NAMPTTDP1OPRD1
SCHEMBL4622160 0.80 MMP9 (0.39) HDAC8NAMPTNPSR1TDP1
SCHEMBL4808286 0.79 KMT2A (0.50) HDAC8PTPN1NAMPT
SCHEMBL4808295 0.79 KMT2A (0.50) HDAC8PTPN1NAMPT
SCHEMBL8222010 0.79 NPFFR1 (0.49) NAMPT

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-20080255188-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-16 US claimed
US-20080255188-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-16 US 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-20080255188-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 HDAC8 3671/4885PTPN1 1948/4885NAMPT 2092/4885

“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.