SCHEMBL3317034

SCHEMBL3317034

CC(C)(C)OC(=O)N1CC(NC2CCc3cc(F)ccc32)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.45
USP30 Q70CQ3 2/20 0.43
HPGDS O60760 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPY5R Q15761 4/20 0.41
BRD3 Q15059 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
PDE10A Q9Y233 2/20 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
SCHEMBL3315505 0.83 CCR2 (0.46) CCR2TRPV1PDE10A
SCHEMBL3313172 0.77 PARP10 (0.46) CCR2
SCHEMBL20757938 0.77 KDM4E (0.47) USP30HDAC1HDAC2KDM4EBRD3
SCHEMBL3313206 0.76 DDB1 (0.43) USP30HPGDSHDAC1HDAC2
SCHEMBL20757256 0.75 KDM4E (0.48) USP30HDAC1HDAC2KDM4EBRD3
SCHEMBL3317404 0.74 ALDH1A1 (0.40) CCR2TRPV1PDE10A
SCHEMBL20757935 0.73 KDM4E (0.46) USP30HDAC1HDAC2KDM4EBRD3
SCHEMBL22059962 0.73 KDM4E (0.46) USP30HDAC1HDAC2KDM4E
SCHEMBL30700671 0.73 KDM4E (0.46) USP30HDAC1HDAC2KDM4E
SCHEMBL9900230 0.72 HDAC1 (0.48) USP30HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 US disclosed
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 CCR2 734/4885USP30 4653/4885HPGDS 2481/4885

“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.