SCHEMBL2686248

SCHEMBL2686248

Cn1cnc(C(=O)N(Cc2ccc(F)c(Br)c2)C2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.42
KCNH2 Q12809 6/20 0.42
SLC6A5 Q9Y345 4/20 0.41
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
AGER Q15109 3/20 0.40
MTNR1A P48039 1/20 0.40
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 2/20 0.38
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 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
SCHEMBL15104641 0.90 SLC6A9 (0.40) SLC6A9KCNH2SLC6A5AXLMERTK
SCHEMBL999445 0.82 SLC6A9 (0.60) SLC6A9KCNH2SLC6A5AGERMTNR1A
SCHEMBL15104548 0.82 SLC6A9 (0.38) SLC6A9KCNH2SLC6A5AGERMTNR1A
SCHEMBL4545282 0.81 SLC6A9 (0.39) SLC6A9KCNH2SLC6A5AXLMERTK
SCHEMBL1049622 0.81 SLC6A9 (0.61) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL4545285 0.80 DDHD2 (0.42) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL2686649 0.80 AGER (0.41) SLC6A9KCNH2SLC6A5AGERMTNR1A
SCHEMBL15104642 0.80 SLC6A9 (0.60) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL4545279 0.79 PDE4D (0.40) SLC6A9KCNH2SLC6A5AGERMTNR1A
SCHEMBL1051680 0.79 HDAC8 (0.40) SLC6A9KCNH2AXLMERTKMEN1

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 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.