SCHEMBL6884355

SCHEMBL6884355

CCCC/N=C/c1c(C2CC2)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
DPP4 P27487 1/20 0.33
LMNA P02545 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL423043 1.00 CNR2 (0.33) CNR2DPP4LMNAGABRA2GABRB2
SCHEMBL6884773 0.80 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL420611 0.80 KDM4E (0.33) KDM4EALDH1A1GAAMAPT
SCHEMBL19439649 0.73 CACNA1H (0.33) KDM4E
SCHEMBL422141 0.72 RBP4 (0.33) KDM4EALDH1A1GAA
SCHEMBL320338 0.69 KDM4E (0.37) CNR2LMNAKDM4EALDH1A1GAA
SCHEMBL320339 0.69 KDM4E (0.37) CNR2LMNAKDM4EALDH1A1GAA
SCHEMBL18242800 0.63 CACNA1H (0.35)
SCHEMBL10465917 0.62 GRIN2D (0.46) LMNAKDM4EALDH1A1GAAMAPT
SCHEMBL10465915 0.62 GRIN2D (0.46) LMNAKDM4EALDH1A1GAAMAPT

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 16 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-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-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-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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CNR2 68/4885DPP4 2687/4885LMNA 4809/4885
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 CNR2 68/4885DPP4 2687/4885LMNA 4809/4885
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES GLRA1, GRIA1, GLRA2 CNR2 193/4885DPP4 2336/4885LMNA 4733/4885

“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.