SCHEMBL3540658

SCHEMBL3540658

NCC1(C(O)C2CC2)CCC(S(=O)(=O)CC2CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 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
SCHEMBL3548002 0.75 SLC6A9 (0.31) SLC6A9
SCHEMBL3543402 0.72
SCHEMBL3538540 0.70 SLC6A9 (0.44) SLC6A9
SCHEMBL3538535 0.70 SLC6A9 (0.44) SLC6A9
SCHEMBL3543250 0.68 SLC6A9 (0.70) SLC6A9
SCHEMBL3539975 0.65 SLC6A9 (0.33) SLC6A9
SCHEMBL3543709 0.65 SLC6A9 (0.40) SLC6A9
SCHEMBL3548536 0.64 SLC6A9 (0.34) SLC6A9
SCHEMBL4722260 0.62 SLC6A9 (0.34) SLC6A9
SCHEMBL14836687 0.58 GABRA1 (0.48)

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 10 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 disclosed
EP-1891002-B1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (GB) 2012-05-30 EP disclosed
US-7851638-B2 Cyclohexanesulfonyl derivatives as GLYT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME LIMITED (GB) 2010-12-14 US disclosed
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (UK) LIMITED (GB) 2010-02-04 US disclosed
US-7626056-B2 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents MERCK SHARP & DOHME LIMITED (GB) 2009-12-01 US disclosed
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP disclosed
EP-1891002-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA Merck Sharp & Dohme Limited (GB) 2008-02-27 EP disclosed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO disclosed
WO-2006131713-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 US 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 SLC6A9 71/4885
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 SLC6A9 71/4885

“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.