SCHEMBL17718802

SCHEMBL17718802

CC(C)(C)CN1CCN2C(=O)CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
EPHX2 P34913 1/20 0.35
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
VNN1 O95497 2/20 0.31
DRD3 P35462 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM5A P29375 1/20 0.30

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
SCHEMBL18032452 0.83 VNN1 (0.42) VNN1KDM5A
SCHEMBL17722618 0.81 PDCD1LG2 (0.41) PDCD1LG2CD274EPHX2DRD2DRD3
SCHEMBL24711532 0.81 PDCD1LG2 (0.41) PDCD1LG2CD274EPHX2DRD2DRD3
SCHEMBL21739463 0.81 PDCD1LG2 (0.41) PDCD1LG2CD274EPHX2DRD2DRD3
SCHEMBL25664016 0.77 PIK3CD (0.44) PDCD1LG2CD274EPHX2DRD2KDM5A
SCHEMBL18849760 0.75 PDCD1LG2 (0.32) PDCD1LG2CD274VNN1
SCHEMBL12563401 0.75 PDCD1LG2 (0.32) PDCD1LG2CD274VNN1
SCHEMBL18849759 0.75 PDCD1LG2 (0.32) PDCD1LG2CD274VNN1
SCHEMBL18032445 0.74 CTSS (0.39) VNN1KDM5A
SCHEMBL25666931 0.74 PDCD1LG2 (0.38) PDCD1LG2CD274EPHX2DRD2ALDH1A1

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-20160120863-A1 SLC2A TRANSPORTER INHIBITORS IOMET PHARMA LTD. (GB) 2016-05-05 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-20160120863-A1 SLC2A TRANSPORTER INHIBITORS SLCO1A2, SLCO2B1, SLCO2A1 PDCD1LG2 4761/4885CD274 4844/4885EPHX2 2623/4885

“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.