SCHEMBL3319712

SCHEMBL3319712

CC(NC1CN(C(=O)O)C1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.44
OPRM1 P35372 4/20 0.42
OPRL1 P41146 4/20 0.42
CACNA2D1 P54289 2/20 0.41
CACNA1B Q00975 2/20 0.41
CACNB1 Q02641 2/20 0.41
CACNA1C Q13936 1/20 0.41
CASR P41180 4/20 0.41
CNR2 P34972 1/20 0.41
CACNA1G O43497 1/20 0.40
GRIN2B Q13224 1/20 0.39
CXCL8 P10145 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
SCHEMBL3317207 0.84 CASR (0.42) CNR1CASR
SCHEMBL3321099 0.84 DPP4 (0.46) CNR1OPRL1CNR2
SCHEMBL3317794 0.80 CNR1 (0.46) CNR1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL8263707 0.78 L3MBTL1 (0.49) CNR1OPRL1
SCHEMBL3317456 0.75 MCHR1 (0.39) CNR1OPRM1OPRL1CACNA2D1CACNA1B
SCHEMBL3317547 0.74 HTR6 (0.45) CNR1CNR2
SCHEMBL3319177 0.74 SOS1 (0.37) CNR1OPRL1CNR2
SCHEMBL3314526 0.73 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3317174 0.72 HRH4 (0.39) CASR
SCHEMBL3315251 0.72 ACACB (0.52)

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 CNR1 1/4885OPRM1 16/4885OPRL1 2/4885

“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.