SCHEMBL4549602

SCHEMBL4549602

Bc1cc(CNC(C)C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
PARP1 P09874 4/20 0.37
S1PR3 Q99500 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAP4K4 O95819 1/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
GRIN2B Q13224 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL6071818 0.83 S1PR3 (0.46) SLC2A1PARP1S1PR3KCNH2
SCHEMBL27428920 0.80 MMP13 (0.47) SLC2A1PARP1PDGFRBKDR
SCHEMBL13761221 0.79 LOXL2 (0.39) KCNH2
SCHEMBL12312596 0.79 CNR2 (0.44) SLC2A1S1PR3KCNH2
SCHEMBL1003082 0.79 CYP1A2 (0.41) SLC2A1PARP1S1PR3ADRB2KCNH2
SCHEMBL12871166 0.76 PTPN7 (0.49) KCNH2
SCHEMBL13365636 0.76 GABRA1 (0.44) ADRB3
SCHEMBL1002024 0.75 SLC2A1 (0.38) SLC2A1PARP1S1PR3ADRB2KCNH2
SCHEMBL15697695 0.75 ALDH1A1 (0.41) SLC2A1PARP1S1PR3ADRB2ADRB1
SCHEMBL30779531 0.74 TAAR1 (0.50) SLC2A1

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-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 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-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS SLC6A5, SLC1A2, SLC18A2 SLC2A1 44/4885PARP1 4047/4885S1PR3 4048/4885

“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.