SCHEMBL1348675

SCHEMBL1348675

CSc1cc(C(F)(F)F)ccc1C(=O)NC(c1ccccc1)C1(N(C)C)CCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.51
KLRK1 P26718 4/20 0.39
MICA Q29983 4/20 0.39
RAET1L Q5VY80 4/20 0.39
PDE2A O00408 1/20 0.37
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3237631 0.85 SLC6A9 (0.48) SLC6A9KLRK1MICARAET1LPDE2A
SCHEMBL1347772 0.84 SLC6A9 (0.53) SLC6A9KLRK1MICARAET1LCYP2D6
SCHEMBL3240563 0.83 KMT2A (0.49) SLC6A9ALDH1A1PKMMEN1KMT2A
SCHEMBL1349456 0.83 SLC6A9 (0.52) SLC6A9KLRK1MICARAET1LCYP2D6
SCHEMBL3239348 0.83 KLRK1 (0.41) SLC6A9KLRK1MICARAET1LPDE2A
SCHEMBL3264265 0.83 SLC6A9 (0.41) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL1350169 0.83 SLC6A9 (0.54) SLC6A9KLRK1MICARAET1LCYP2D6
SCHEMBL1348087 0.82 SLC6A9 (0.54) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL3240099 0.82 CRHR1 (0.46) SLC6A9KLRK1MICARAET1LALDH1A1
SCHEMBL1348599 0.81 SLC6A9 (0.50) 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 9 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
WO-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 WO 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.