SCHEMBL4545280

SCHEMBL4545280

CC(C)N(Cc1ccc(F)c(-c2cccc(OC(F)(F)F)c2)c1)C(=O)c1ncn(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
SLC6A9 P48067 8/20 0.38
KCNH2 Q12809 8/20 0.38
AVPR1B P47901 1/20 0.38
CYP2D6 P10635 4/20 0.37
CYP3A4 P08684 2/20 0.37
SLC6A5 Q9Y345 4/20 0.37
PIM1 P11309 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ABL1 P00519 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
FLT3 P36888 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL4545281 0.91 ABL1 (0.41) NTRK1FFAR4ABL1
SCHEMBL1050669 0.86 MGLL (0.40) HDAC6AVPR1B
SCHEMBL1053472 0.85 MGLL (0.37) NTRK1AVPR1BABL1
SCHEMBL1053581 0.85 SLC6A9 (0.52) NTRK1SLC6A9KCNH2CYP2D6CYP3A4
SCHEMBL1053576 0.76 SLC6A9 (0.44) SLC6A9KCNH2AVPR1BCYP2D6CYP3A4
SCHEMBL1051680 0.76 HDAC8 (0.40) HDAC6TRPM8SLC6A9KCNH2CYP2D6
SCHEMBL1050127 0.75 AVPR1B (0.45) SLC6A9KCNH2AVPR1BCYP2D6CYP3A4
SCHEMBL1050366 0.75 SLC6A9 (0.46) NTRK1SLC6A9KCNH2CYP2D6CYP3A4
SCHEMBL4545290 0.75 SLC6A9 (0.43) SLC6A9KCNH2AVPR1BCYP2D6CYP3A4
SCHEMBL4545285 0.74 DDHD2 (0.42) NTRK1SLC6A9KCNH2CYP2D6CYP3A4

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 NTRK1 3262/4885HDAC1 3873/4885HDAC6 3130/4885

“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.