SCHEMBL3314490

SCHEMBL3314490

CC(c1ccc(F)cc1Cl)N(C)C1CN(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
DPP7 Q9UHL4 1/20 0.44
MDM4 O15151 4/20 0.41
MDM2 Q00987 4/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TACR1 P25103 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NR3C2 P08235 1/20 0.35

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
SCHEMBL3313190 0.86 TACR1 (0.37) DPP4DPP7OXTRAVPR1ATACR1
SCHEMBL3317456 0.85 MCHR1 (0.39) CNR1
SCHEMBL3318607 0.83 DPP4 (0.48) DPP4DPP7MDM4MDM2SLC6A2
SCHEMBL3316820 0.80 CHRM1 (0.40) DPP4DPP7SLC6A2SLC6A4PTGDR2
SCHEMBL3321099 0.78 DPP4 (0.46) DPP4DPP7MDM2CNR1CNR2
SCHEMBL23212018 0.77 DPP4 (0.45) DPP4DPP7MDM4MDM2CNR1
SCHEMBL3316906 0.76 CACNA2D1 (0.37) SLC6A2SLC6A4SMN1; SMN2
SCHEMBL4714391 0.73 SMN1; SMN2 (0.44) SLC6A2SLC6A4SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL3317389 0.73 KIF11 (0.38) CNR1CYP2C9
SCHEMBL3320770 0.72 RBP4 (0.40) DPP4DPP7SLC6A2SLC6A4SMN1; SMN2

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 1 patent. 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

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 4127/4885MDM4 4878/4885

“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.