SCHEMBL3539620

SCHEMBL3539620

CC(NC(=O)c1ccc(Cl)cc1Cl)C1(CC2CC2)CCC(SCC2CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3544885 0.82 SLC6A9 (0.66) SLC6A9CYP2C9
SCHEMBL3651485 0.78 SLC6A9 (0.70) SLC6A9CYP2C9
SCHEMBL4722322 0.77 SLC6A9 (0.56) SLC6A9CYP2C9
SCHEMBL3538202 0.71 SLC6A9 (0.51) SLC6A9
SCHEMBL3537365 0.69 SLC6A9 (0.70) SLC6A9CYP2C9
SCHEMBL3232492 0.67 SLC6A9 (0.45) SLC6A9NPC1RAB9A
SCHEMBL13754447 0.67 ALDH1A1 (0.72) NPC1RAB9AALDH1A1GAA
SCHEMBL13138011 0.67 SLC6A9 (0.43) SLC6A9NPC1RAB9A
SCHEMBL3049327 0.66 SLC6A9 (0.46) SLC6A9
SCHEMBL13585912 0.66 POLB (0.53) SLC6A9NPC1RAB9ACYP2C9ALDH1A1

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 15 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
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 claimed
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP claimed
EP-1891002-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA Merck Sharp & Dohme Limited (GB) 2008-02-27 EP claimed
WO-2006131713-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO 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
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-1891002-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA Merck Sharp & Dohme Limited (GB) 2008-02-27 EP 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 71/4885NPC1 390/4885RAB9A 3150/4885
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 SLC6A9 71/4885NPC1 390/4885RAB9A 3150/4885

“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.