SCHEMBL1349648

SCHEMBL1349648

O=C(NC(c1ccccc1)C1(N2CCCC2)CCC1)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.44
KLRK1 P26718 2/20 0.43
MICA Q29983 2/20 0.43
RAET1L Q5VY80 2/20 0.43
PSMB11 A5LHX3 3/20 0.42
PSMA7 O14818 3/20 0.42
PSMB1 P20618 3/20 0.42
PSMA1 P25786 3/20 0.42
PSMA2 P25787 3/20 0.42
PSMA3 P25788 3/20 0.42
PSMA4 P25789 3/20 0.42
PSMB8 P28062 3/20 0.42
PSMB9 P28065 3/20 0.42
PSMA5 P28066 3/20 0.42
PSMB4 P28070 3/20 0.42
PSMB6 P28072 3/20 0.42
PSMB5 P28074 3/20 0.42
PSMB10 P40306 3/20 0.42
PSMB3 P49720 3/20 0.42
PSMB2 P49721 3/20 0.42

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
SCHEMBL1348590 0.92 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LCES2
SCHEMBL3241393 0.90 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LCES2
SCHEMBL1349793 0.89 SLC6A9 (0.52) SLC6A9
SCHEMBL3234829 0.88 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LCES2
SCHEMBL1350222 0.88 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LENPP2
SCHEMBL1348399 0.88 SLC6A9 (0.50) SLC6A9KLRK1MICARAET1LENPP2
SCHEMBL1349999 0.87 SLC6A9 (0.50) SLC6A9KLRK1MICARAET1LENPP2
SCHEMBL1350744 0.86 KLRK1 (0.50) SLC6A9KLRK1MICARAET1L
SCHEMBL1349947 0.85 KLRK1 (0.41) SLC6A9KLRK1MICARAET1LENPP2
SCHEMBL1350402 0.85 MTTP (0.45) SLC6A9KLRK1MICARAET1L

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 6 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 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 SLC6A9 20/4885KLRK1 1606/4885MICA 2450/4885

“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.