SCHEMBL421844

SCHEMBL421844

O=C(O)c1ccc(C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
PTGDR2 Q9Y5Y4 2/20 0.56
LTB4R Q15722 2/20 0.50
LTB4R2 Q9NPC1 2/20 0.50
BACE1 P56817 1/20 0.50
USP2 O75604 1/20 0.50
CYP2C19 P33261 1/20 0.50
XDH P47989 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
ACLY P53396 3/20 0.49
TACR1 P25103 1/20 0.49
CYP2C8 P10632 1/20 0.49
TAS2R14 Q9NYV8 2/20 0.48
CES2 O00748 1/20 0.47
KIF11 P52732 1/20 0.47
GRIK1 P39086 1/20 0.47
RXRA P19793 1/20 0.46

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
SCHEMBL23354157 0.91 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
SCHEMBL6018315 0.87 BCAT2 (0.56) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
SCHEMBL27560416 0.87 PTGDR2 (0.54) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
SCHEMBL343208 0.86 HSD17B10 (0.53) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
SCHEMBL29978935 0.85 PTGDR2 (0.59) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
SCHEMBL23354390 0.85 PTGDR2 (0.59) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
SCHEMBL23354125 0.85 RXRA (0.54) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
SCHEMBL29978858 0.85 RXRA (0.54) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
Hydrochloric Acid SCHEMBL7763180 0.85 HSD17B10 (0.51) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
SCHEMBL4945678 0.83 CFTR (0.60) ALDH1A1KDM4EHPGDHSD17B10PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
CN-102482203-B Carbocyclic GLYT1 receptor antagonists HOFFMANN LA ROCHE 2015-06-03 CN disclosed
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 EP disclosed
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 EP disclosed
CN-102292320-B Aroylamino-and heteroaroylamino-substituted piperidines as GLYT-1 inhibitors HOFFMANN LA ROCHE 2014-07-02 CN disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US 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
WO-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 WO 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 (2 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 ALDH1A1 1116/4885KDM4E 4697/4885HPGD 2184/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C ALDH1A1 55/4885KDM4E 2562/4885HPGD 1641/4885

“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.