SCHEMBL425368

SCHEMBL425368

CC(C)c1cc(C(F)(F)F)ccc1C1=NC(C)(C)CO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
IDH1 O75874 1/20 0.33
PDE2A O00408 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL7842188 0.83 KDM4E (0.43) KDM4EHTTLMNAMAPTATM
SCHEMBL9607357 0.81 KDM4E (0.41) KDM4EHTTLMNAMAPTATM
SCHEMBL20921262 0.81 KDM4E (0.41) KDM4EHTTLMNAMAPTATM
SCHEMBL9119960 0.79 KDM4E (0.39) KDM4EHTTLMNAMAPTATM
SCHEMBL422793 0.79 KDM4E (0.39) KDM4EHTTLMNAMAPT
SCHEMBL7937331 0.78 FABP4 (0.42) KDM4EHTTLMNAMAPT
SCHEMBL954192 0.74 LMNA (0.48) KDM4EHTTLMNAMAPT
SCHEMBL7513299 0.73 KDM4E (0.44) KDM4EHTTLMNAMAPTATM
SCHEMBL10153447 0.73 PDE2A (0.35) IDH1PDE2ACYP11B1CYP11B2
SCHEMBL799286 0.72 KDM4E (0.46) KDM4EHTTLMNAMAPTATM

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 KDM4E 4374/4885HTT 336/4885LMNA 4809/4885
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 KDM4E 4374/4885HTT 336/4885LMNA 4809/4885

“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.