SCHEMBL4648949

SCHEMBL4648949

CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)NC1C2CN(CCc3ccc4c(c3)OCO4)CC21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
HDAC8 Q9BY41 7/20 0.43
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NAMPT P43490 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL3562002 0.85 PTPN1 (0.58) PTPN1HDAC8ALDH1A1NAMPTTSHR
SCHEMBL4803652 0.85 PTPN1 (0.42) PTPN1HDAC8DRD2ALDH1A1TSHR
SCHEMBL4925770 0.82 PTPN1 (0.44) PTPN1HDAC8DRD2ADRA1A
SCHEMBL4914651 0.79 HDAC8 (0.50) PTPN1HDAC8NAMPT
SCHEMBL4649730 0.76 NAMPT (0.42) ALDH1A1ADRA1DADRA1AADRA1BMEN1
SCHEMBL4649360 0.72 SIGMAR1 (0.48) DRD2ALDH1A1TSHR
SCHEMBL3562005 0.72 F10 (0.47) PTPN1HDAC8ALDH1A1MEN1POLB
SCHEMBL4925914 0.71 HDAC8 (0.48) PTPN1HDAC8POLBNAMPT
SCHEMBL14067982 0.70 PTPN1 (0.48) PTPN1HDAC8POLB
SCHEMBL12586629 0.70 PTPN1 (0.48) PTPN1HDAC8POLB

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 6 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
EP-1904495-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
US-20080255188-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-16 US disclosed
EP-1904495-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 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-20080255188-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 PTPN1 1948/4885HDAC8 3671/4885DRD2 467/4885

“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.