SCHEMBL679179

SCHEMBL679179

O=C(NCC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1)c1cnc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.55
CYP2C9 P11712 4/20 0.41
CNR2 P34972 5/20 0.37
CYP2C19 P33261 4/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35

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
SCHEMBL678188 0.90 SLC6A9 (0.54) SLC6A9CYP2C9
SCHEMBL4760591 0.84 SLC6A9 (0.60) SLC6A9CYP2C9
SCHEMBL3544127 0.84 SLC6A9 (0.65) SLC6A9CYP2C9
SCHEMBL5918448 0.83 SLC6A9 (0.59) SLC6A9CYP2C9
SCHEMBL5918325 0.81 SLC6A9 (0.57) SLC6A9CYP2C9
SCHEMBL3541661 0.81 SLC6A9 (0.57) SLC6A9CYP2C9
SCHEMBL4762258 0.81 SLC6A9 (0.55) SLC6A9CYP2C9CNR2
SCHEMBL4721810 0.81 SLC6A9 (0.57) SLC6A9CYP2C9
SCHEMBL13137946 0.80 SLC6A9 (0.39) SLC6A9CYP2C9CNR2CYP2C19CYP2D6
SCHEMBL13137944 0.80 SLC6A9 (0.39) SLC6A9CYP2C9CNR2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893566-B1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (GB) 2013-02-13 EP claimed
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP claimed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO claimed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 US claimed
EP-1893566-B1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (GB) 2013-02-13 EP disclosed
US-20110269782-A1 USE OF NMDA ACTIVITY ENHANCERS TO TREAT HYPERSOMNIA, REDUCED WAKEFULNESS OR REDUCED VIGILANCE MERCK, SHARP & DOHME LTD. (GB) 2011-11-03 US disclosed
EP-2328576-A1 USE OF NMDA ACTIVITY ENHANCERS TO TREAT HYPERSOMNIA, REDUCED WAKEFULNESS OR REDUCED VIGILANCE Merck Sharp & Dohme Limited (GB) 2011-06-08 EP disclosed
WO-2010035026-A1 USE OF NMDA ACTIVITY ENHANCERS TO TREAT HYPERSOMNIA, REDUCED WAKEFULNESS OR REDUCED VIGILANCE MERCK SHARP & DOHME LTD (GB) 2010-04-01 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 (1 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 SLC6A9 71/4885CYP2C9 1409/4885CNR2 208/4885

“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.