SCHEMBL4545282

SCHEMBL4545282

Cn1cnc(C(=O)N(Cc2ccc(F)c(-c3cccc(CO)c3)c2)C2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.39
KCNH2 Q12809 5/20 0.39
SLC6A5 Q9Y345 4/20 0.39
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
ABL1 P00519 1/20 0.37
TSHR P16473 1/20 0.36
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
OPRM1 P35372 1/20 0.35
ACKR3 P25106 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTOR P42345 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP3A4 P08684 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
SCHEMBL374972 0.92 SLC6A9 (0.40) SLC6A9KCNH2SLC6A5ABL1OPRM1
SCHEMBL4545279 0.87 PDE4D (0.40) SLC6A9KCNH2SLC6A5AGERMTNR1A
SCHEMBL4545284 0.85 SLC6A9 (0.56) SLC6A9KCNH2SLC6A5CYP3A4
SCHEMBL4545287 0.84 SLC6A9 (0.57) SLC6A9KCNH2SLC6A5CYP3A4
SCHEMBL4545285 0.84 DDHD2 (0.42) SLC6A9KCNH2SLC6A5ABL1CYP3A4
SCHEMBL1000046 0.83 SLC6A9 (0.58) SLC6A9KCNH2SLC6A5CYP3A4
SCHEMBL1053472 0.82 MGLL (0.37) ABL1CHRM3
SCHEMBL2686248 0.81 SLC6A9 (0.42) SLC6A9KCNH2SLC6A5AGERMTNR1A
SCHEMBL375299 0.80 CSF1R (0.38) SLC6A9KCNH2SLC6A5CHRM3CYP3A4
SCHEMBL15116033 0.75 PIK3CA (0.38) SLC6A9KCNH2SLC6A5MTORCYP3A4

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 2 patents. 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
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 SLC6A9 5/4885KCNH2 1410/4885SLC6A5 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.