SCHEMBL4376399

SCHEMBL4376399

O=C(NCC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.60
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CYP2C9 P11712 1/20 0.41
HPD P32754 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL678461 0.86 SLC6A9 (0.78) SLC6A9CYP2C9
SCHEMBL4368803 0.80 SLC6A9 (0.78) SLC6A9CYP2C9
SCHEMBL4370488 0.80 SLC6A9 (0.76) SLC6A9CYP2C9
SCHEMBL4719141 0.79 SLC6A9 (0.64) SLC6A9CYP2C9
SCHEMBL4368884 0.79 SLC6A9 (0.78) SLC6A9CYP2C9
SCHEMBL3542503 0.78 SLC6A9 (0.65) SLC6A9CYP2C9
SCHEMBL3535787 0.78 SLC6A9 (0.60) SLC6A9CYP2C9
SCHEMBL3545064 0.78 SLC6A9 (0.60) SLC6A9CYP2C9
SCHEMBL3537687 0.78 SLC6A9 (0.57) SLC6A9CYP2C9
SCHEMBL8515881 0.77 SLC6A9 (0.79) SLC6A9CYP2C9

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 4 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
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

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 71/4885FLT1 2873/4885FLT4 4020/4885

“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.