SCHEMBL3317207

SCHEMBL3317207

Cc1ccccc1C(C)NC1CN(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.42
CNR1 P21554 5/20 0.42
CYP2D6 P10635 3/20 0.39
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36

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
SCHEMBL3319712 0.84 CNR1 (0.44) CASRCNR1
SCHEMBL3314526 0.83 CACNA2D1 (0.43) HPGDGPR139
SCHEMBL3317794 0.81 CNR1 (0.46) CASRCNR1HPGD
SCHEMBL3319177 0.81 SOS1 (0.37) CNR1KMT2AGPR139
SCHEMBL6169776 0.77 GAA (0.50) CASRCNR1CYP2D6GAAL3MBTL1
SCHEMBL3316301 0.76 KDM4E (0.44) HPGDGAAL3MBTL1MEN1ALDH1A1
SCHEMBL3317146 0.76 L3MBTL1 (0.42) GAAL3MBTL1
SCHEMBL3316633 0.74 SLC6A9 (0.44) GAAL3MBTL1MEN1KMT2AGPR139
SCHEMBL3317389 0.74 KIF11 (0.38) CNR1HPGDMEN1KMT2A
SCHEMBL3317174 0.73 HRH4 (0.39) CASRGAAL3MBTL1ALDH1A1KMT2A

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 CASR 117/4885CNR1 1/4885CYP2D6 797/4885

“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.