SCHEMBL421597

SCHEMBL421597

COc1cc(C(F)(F)F)cc(OCc2ccccc2)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MRGPRX4 Q96LA9 3/20 0.48
PTPN2 P17706 2/20 0.47
PTPN1 P18031 2/20 0.47
PTPN6 P29350 2/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL422969 0.90 RXRA (0.51) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL427348 0.88 MRGPRX4 (0.50) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL4599397 0.80 RXRA (0.60) RXRASMPD1HDAC1HDAC8HDAC6
SCHEMBL1332171 0.80 HTR2C (0.59) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL31406760 0.78 RXRA (0.58) RXRARXRBRXRGMRGPRX4PTPN2
SCHEMBL26604860 0.78 RXRA (0.52) RXRARXRBRXRGMRGPRX4PTPN2
SCHEMBL26132595 0.78 APP (0.48) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL8039259 0.77 LMNA (0.51) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL15709508 0.75 RXRA (0.54) RXRASMPD1HDAC1HDAC8HDAC6
SCHEMBL4600081 0.75 RXRA (0.54) RXRASMPD1HDAC1HDAC8HDAC6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8404673-B2 Carbocyclic GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404673-B2 Carbocyclic GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404673-B2 Carbocyclic GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
EP-2470498-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-07-04 EP disclosed
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS KOLCZEWSKI SABINE (DE) 2012-01-26 US disclosed
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS KOLCZEWSKI SABINE (DE) 2012-01-26 US disclosed
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS KOLCZEWSKI SABINE (DE) 2012-01-26 US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 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 RXRA 2641/4885RXRB 2594/4885RXRG 2645/4885
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 RXRA 2641/4885RXRB 2594/4885RXRG 2645/4885

“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.