SCHEMBL1349947

SCHEMBL1349947

CCc1cc(C(F)(F)F)ccc1C(=O)NC(c1ccccc1)C1(N2CCCC2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 2/20 0.41
MICA Q29983 2/20 0.41
RAET1L Q5VY80 2/20 0.41
SLC6A9 P48067 10/20 0.41
KCNK3 O14649 1/20 0.39
MTTP P55157 2/20 0.39
ENPP2 Q13822 2/20 0.39
KCNA5 P22460 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL1348399 0.89 SLC6A9 (0.50) KLRK1MICARAET1LSLC6A9MTTP
SCHEMBL1348590 0.87 SLC6A9 (0.49) KLRK1MICARAET1LSLC6A9MTTP
SCHEMBL1350222 0.87 SLC6A9 (0.49) KLRK1MICARAET1LSLC6A9MTTP
SCHEMBL1349999 0.87 SLC6A9 (0.50) KLRK1MICARAET1LSLC6A9MTTP
SCHEMBL1347772 0.86 SLC6A9 (0.53) KLRK1MICARAET1LSLC6A9MTTP
SCHEMBL1349364 0.86 SLC6A9 (0.53) KLRK1MICARAET1LSLC6A9MTTP
SCHEMBL1350744 0.86 KLRK1 (0.50) KLRK1MICARAET1LSLC6A9MTTP
SCHEMBL1349648 0.85 SLC6A9 (0.44) KLRK1MICARAET1LSLC6A9ENPP2
SCHEMBL3241393 0.85 SLC6A9 (0.49) KLRK1MICARAET1LSLC6A9
SCHEMBL1350079 0.85 SLC6A9 (0.41) SLC6A9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US claimed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US claimed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 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-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS GLRA1, GLRA2, GRIA1 KLRK1 1606/4885MICA 2450/4885RAET1L 2905/4885

“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.