SCHEMBL3321099

SCHEMBL3321099

CC(NC1CN(C(=O)O)C1)c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
P2RX7 Q99572 5/20 0.41
GPR139 Q6DWJ6 2/20 0.41
MDM2 Q00987 4/20 0.41
NR3C2 P08235 3/20 0.40
HPGD P15428 1/20 0.40
OPRL1 P41146 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL3319177 0.86 SOS1 (0.37) DPP4DPP7CNR1CNR2GPR139
SCHEMBL3319712 0.84 CNR1 (0.44) CNR1CNR2OPRL1
SCHEMBL23212018 0.79 DPP4 (0.45) DPP4DPP7CNR1CNR2P2RX7
SCHEMBL3315968 0.78 ADRB2 (0.48) DPP4DPP7RAB9A
SCHEMBL3314490 0.78 DPP4 (0.44) DPP4DPP7CNR1CNR2MDM2
SCHEMBL3317620 0.77 ADRB2 (0.41) DPP4DPP7CNR1CNR2P2RX7
SCHEMBL3314526 0.75 CACNA2D1 (0.43) GPR139HPGDRAB9A
SCHEMBL21723003 0.74 HPGD (0.70) P2RX7HPGDRAB9A
SCHEMBL3318607 0.73 DPP4 (0.48) DPP4DPP7CNR1CNR2MDM2
SCHEMBL30202666 0.72 GPR139 (0.48) P2RX7GPR139MDM2NR3C2

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 DPP4 4101/4885DPP7 4127/4885CNR1 1/4885

“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.