SCHEMBL3027243

SCHEMBL3027243

COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.45
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
NOTUM Q6P988 1/20 0.40
GPR35 Q9HC97 1/20 0.38
CES2 O00748 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL423901 0.90 GPR35 (0.41) SLC6A9NOTUMGPR35CES2AKR1C3
SCHEMBL31258876 0.85 SLC6A9 (0.48) SLC6A9SCN8ASCN10AAKR1C3AKR1C2
SCHEMBL420816 0.85 SLC6A9 (0.48) SLC6A9SCN8ASCN10AAKR1C3AKR1C2
SCHEMBL18394005 0.82 CES2 (0.47) NOTUMGPR35CES2
SCHEMBL842185 0.80 SLC6A9 (0.47) SLC6A9
SCHEMBL3023015 0.80 CES2 (0.42) SCN8ASCN10ANOTUMGPR35CES2
SCHEMBL421721 0.78 CA12 (0.52) SLC6A9NOTUMCES2AKR1C3AKR1C2
SCHEMBL15901970 0.76 CES2 (0.42) SCN8ASCN10ANOTUMGPR35CES2
SCHEMBL14817465 0.76 NOTUM (0.51) SLC6A9NOTUMGPR35CES2AKR1C3
SCHEMBL1761063 0.75 CA12 (0.50) SLC6A9AKR1C3AKR1C2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20080070973-A1 Compounds having activity at the GlyT1 transporter GLAXO GROUP LIMITED (GB) 2008-03-20 US disclosed
US-20080070973-A1 Compounds having activity at the GlyT1 transporter GLAXO GROUP LIMITED (GB) 2008-03-20 US disclosed
WO-2007147831-A1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
WO-2007147831-A1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
EP-1841727-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-10 EP disclosed
EP-1838663-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-03 EP disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067417-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067417-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO 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 (4 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C SLC6A9 911/4885SCN8A 380/4885SCN10A 259/4885
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885SCN8A 2404/4885SCN10A 1241/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C SLC6A9 911/4885SCN8A 380/4885SCN10A 259/4885
US-20080070973-A1 Compounds having activity at the GlyT1 transporter SLC6A7, SLC6A1, SLC6A4 SLC6A9 27/4885SCN8A 439/4885SCN10A 394/4885

“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.