SCHEMBL422861

SCHEMBL422861

COc1cc(C(F)(F)F)cc(C2CC2)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
HTR2A P28223 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SLC9A1 P19634 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SLC6A9 P48067 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12439665 0.87 SLC9A1 (0.42) MRGPRX4PTGDR2HTR2ASLC9A1
SCHEMBL421721 0.83 CA12 (0.52) AKR1C3AKR1C2SLC6A9KDM4EUSP2
SCHEMBL16398462 0.79 MRGPRX4 (0.41) MRGPRX4PTGDR2
SCHEMBL422975 0.79 MRGPRX4 (0.41) MRGPRX4PTGDR2
SCHEMBL30951357 0.79 HPGD (0.43) MRGPRX4AKR1C3AKR1C2FFAR4SLC6A9
SCHEMBL1105439 0.79 HPGD (0.43) MRGPRX4AKR1C3AKR1C2FFAR4SLC6A9
SCHEMBL31092882 0.77 LMNA (0.44) AKR1C3AKR1C2SLC6A9KDM4EUSP2
SCHEMBL26488238 0.77 LMNA (0.44) AKR1C3AKR1C2SLC6A9KDM4EUSP2
SCHEMBL31258876 0.77 SLC6A9 (0.48) AKR1C3AKR1C2SLC6A9KDM4EUSP2
SCHEMBL420816 0.77 SLC6A9 (0.48) AKR1C3AKR1C2SLC6A9KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP 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
EP-2531190-B1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
EP-2531190-B1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
EP-2585456-A1 AMIDO-TROPANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-01 EP disclosed
WO-2011095434-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095434-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 US disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 US disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
WO-2011023667-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
WO-2011023667-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 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 (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-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 MRGPRX4 162/4885PTGDR2 479/4885HTR2A 368/4885
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES GLRA1, GRIA1, GLRA2 MRGPRX4 1623/4885PTGDR2 357/4885HTR2A 286/4885

“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.