SCHEMBL3320853

SCHEMBL3320853

CC(NC1CN(C(=O)O)C1)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
CNR2 P34972 2/20 0.43
PHGDH O43175 1/20 0.43
CASR P41180 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL3317146 0.80 L3MBTL1 (0.42) PHGDHGAAL3MBTL1
SCHEMBL3315968 0.79 ADRB2 (0.48) DPP4DPP7ALDH1A1CYP3A4CYP2C19
SCHEMBL3319880 0.78 GAA (0.41) DPP4DPP7MAPTALDH1A1NPSR1
SCHEMBL3318604 0.77 KDM1A (0.49) KMT2AMEN1ACACBRAB9A
SCHEMBL3310959 0.76 PANK3 (0.42) MAPTALDH1A1PHGDHKDM4EGAA
SCHEMBL3315251 0.75 ACACB (0.52) KMT2AGAAMEN1L3MBTL1ACACB
SCHEMBL3317082 0.73 EPHX2 (0.45) ALDH1A1ACACB
SCHEMBL30672690 0.72 GAA (0.55) NPSR1CASRNPC1GAAHTT
SCHEMBL27602621 0.72 ALDH1A1 (0.51) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL23724084 0.71 GFER (0.47) MAPTALDH1A1NPSR1CYP1A2CYP3A4

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 4127/4885MAPT 4408/4885

“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.