SCHEMBL3610491

SCHEMBL3610491

CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN5A Q14524 1/20 0.39
PRCP P42785 2/20 0.39
GAA P10253 1/20 0.39
EPHX1 P07099 1/20 0.38
BTK Q06187 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
DPP7 Q9UHL4 1/20 0.35
HTR2C P28335 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HTR2B P41595 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL4630085 1.00 SCN9A (0.39) SCN9ASCN3ASCN5APRCPGAA
SCHEMBL28232408 0.95 PRCP (0.43) SCN9ASCN3ASCN5APRCPGAA
SCHEMBL373560 0.95 PRCP (0.43) SCN9ASCN3ASCN5APRCPGAA
SCHEMBL7299117 0.95 PRCP (0.43) SCN9ASCN3ASCN5APRCPGAA
SCHEMBL6872992 0.90 PRCP (0.39) SCN9ASCN3ASCN5APRCPGAA
SCHEMBL3597014 0.90 PRCP (0.39) SCN9ASCN3ASCN5APRCPGAA
SCHEMBL5154183 0.85 GAA (0.38) SCN9ASCN3ASCN5APRCPGAA
SCHEMBL5033162 0.79 PRCP (0.61) PRCPGAAEPHX1
SCHEMBL6433488 0.78 SCN9A (0.36) SCN9ASCN3ASCN5APRCPGAA
SCHEMBL572824 0.78 SCN9A (0.36) SCN9ASCN3ASCN5APRCPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
EP-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 SCN9A 1217/4885SCN3A 2374/4885SCN5A 1015/4885

“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.