SCHEMBL1350231

SCHEMBL1350231

CSc1cc(C(F)(F)F)ccc1C(=O)NC(c1ccc(Cl)cc1)C1(N2CCCC2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.45
KCNH2 Q12809 2/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KLRK1 P26718 2/20 0.35
MICA Q29983 2/20 0.35
RAET1L Q5VY80 2/20 0.35
PTGER4 P35408 1/20 0.35
PDE2A O00408 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
HSD17B2 P37059 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL1350069 0.92 SLC6A9 (0.46) SLC6A9KCNH2MEN1GAAKMT2A
SCHEMBL1347772 0.91 SLC6A9 (0.53) SLC6A9MEN1GAAKMT2AKLRK1
SCHEMBL1349456 0.90 SLC6A9 (0.52) SLC6A9MEN1GAAKMT2AKLRK1
SCHEMBL1349711 0.88 SLC6A9 (0.46) SLC6A9KCNH2MEN1GAAKMT2A
SCHEMBL1350169 0.88 SLC6A9 (0.54) SLC6A9MEN1GAAKMT2AKLRK1
SCHEMBL3261697 0.87 SLC6A9 (0.41) SLC6A9MEN1GAAKMT2A
SCHEMBL1349875 0.86 SLC6A9 (0.46) SLC6A9MEN1GAAKMT2AKLRK1
SCHEMBL3264199 0.85 SLC6A9 (0.47) SLC6A9
SCHEMBL1348599 0.84 SLC6A9 (0.50) SLC6A9GAA
SCHEMBL1350317 0.84 SLC6A9 (0.57) 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
WO-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 WO 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 SLC6A9 20/4885KCNH2 1365/4885MEN1 1701/4885

“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.