SCHEMBL4545285

SCHEMBL4545285

Cn1cnc(C(=O)N(Cc2ccc(F)c(-c3ccc(OC(F)(F)F)cc3)c2)C2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDHD2 O94830 1/20 0.42
SLC6A9 P48067 8/20 0.40
KCNH2 Q12809 7/20 0.40
SLC6A5 Q9Y345 6/20 0.40
CYP2D6 P10635 4/20 0.40
GCGR P47871 3/20 0.40
GIPR P48546 3/20 0.40
DAGLB Q8NCG7 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
CNR1 P21554 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
FFAR1 O14842 1/20 0.38
CCR5 P51681 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL15104629 0.84 DAGLB (0.44) DDHD2SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL4545282 0.84 SLC6A9 (0.39) SLC6A9KCNH2SLC6A5ABL1CYP3A4
SCHEMBL4545279 0.83 PDE4D (0.40) SLC6A9KCNH2SLC6A5
SCHEMBL4545281 0.82 ABL1 (0.41) FFAR4ABL1NTRK1FFAR1
SCHEMBL2686248 0.80 SLC6A9 (0.42) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL407459 0.78 SLC6A9 (0.54) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15104660 0.77 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP2D6DAGLB
SCHEMBL10064761 0.77 SLC6A9 (0.56) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15116033 0.77 PIK3CA (0.38) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL374972 0.76 SLC6A9 (0.40) SLC6A9KCNH2SLC6A5CYP2D6ABL1

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 DDHD2 2316/4885SLC6A9 5/4885KCNH2 1410/4885

“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.