SCHEMBL4545281

SCHEMBL4545281

CC(C)N(Cc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)c1)C(=O)c1ncn(C)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.41
NTRK1 P04629 3/20 0.41
FFAR4 Q5NUL3 8/20 0.41
FFAR1 O14842 3/20 0.41
NMT1 P30419 1/20 0.36
CTSD P07339 3/20 0.36
BACE1 P56817 3/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
CNR2 P34972 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
SCHEMBL4545280 0.91 NTRK1 (0.41) ABL1NTRK1FFAR4
SCHEMBL1050366 0.84 SLC6A9 (0.46) ABL1NTRK1FFAR4FFAR1
SCHEMBL4545285 0.82 DDHD2 (0.42) ABL1NTRK1FFAR4FFAR1
SCHEMBL1053472 0.82 MGLL (0.37) ABL1NTRK1NMT1
SCHEMBL1052404 0.82 NTRK1 (0.40) ABL1NTRK1FFAR4FFAR1
SCHEMBL1052720 0.81 FFAR4 (0.41) ABL1NTRK1FFAR4FFAR1
SCHEMBL1050669 0.81 MGLL (0.40) CNR2
SCHEMBL1051680 0.78 HDAC8 (0.40) BACE1
SCHEMBL4545319 0.78 SLC6A9 (0.45) ABL1FFAR4FFAR1
SCHEMBL4545310 0.76 SLC6A9 (0.47) NTRK1

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 ABL1 2937/4885NTRK1 3262/4885FFAR4 3234/4885

“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.