SCHEMBL4286977

SCHEMBL4286977

O=C(OCc1ccccc1)N1CCC(CNCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.69
CYP2D6 P10635 4/20 0.67
CYP2C9 P11712 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP3A4 P08684 3/20 0.64
CYP2C19 P33261 1/20 0.62
TPSAB1 Q15661 1/20 0.58
TPSD1 Q9BZJ3 1/20 0.58
TPSG1 Q9NRR2 1/20 0.58
CXCR4 P61073 1/20 0.57
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
F13A1 P00488 1/20 0.55
TGM2 P21980 1/20 0.55
TGM1 P22735 1/20 0.55

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
SCHEMBL10372905 0.90 MEN1 (0.62) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL10153811 0.90 GRIN2B (0.69) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL30625217 0.87 GRIN2B (0.69) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL29532829 0.86 GRIN2B (0.67) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL1495904 0.86 GRIN2B (0.67) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL25248629 0.85 GRIN2B (0.64) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL28959674 0.85 GRIN2B (0.64) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL401825 0.85 SMN1; SMN2 (0.70) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL34466702 0.84 GRIN2B (0.62) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL25256030 0.84 GRIN2B (0.62) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1

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-1357908-A4 ACYL SULFAMIDES FOR TREATMENT OF OBESITY, DIABETES AND LIPID DISORDERS MERCK & CO INC (US) 2009-07-15 EP disclosed
US-6852738-B2 Potent ligands for PPAR gamma and generally have antagonist or partial agonist activity. The compoundsare for treatment, control or prevention of obesity, non-insulin dependent diabetes mellitus (NIDDM), hyperglycemia, dyslipidemia, MERCK & CO., INC. (US) 2005-02-08 US disclosed
US-20040073037-A1 Anticholesterol agents; cardiovascular disorders; antiinflammatory agents; peroxisome proliferator activator receptor antagonist MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
EP-1357908-A2 ACYL SULFAMIDES FOR TREATMENT OF OBESITY, DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-11-05 EP disclosed
WO-2002060388-A2 ACYL SULFAMIDES FOR TREATMENT OF OBESITY, DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-08 WO disclosed
US-5849732-A Phenol compound having antioxidative activity and the process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1998-12-15 US disclosed
CN-1165815-A Phenol compound and process for preparing the same TANABE SEIYAKU CO (JP) 1997-11-26 CN disclosed
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 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-20040073037-A1 Anticholesterol agents; cardiovascular disorders; antiinflammatory agents; peroxisome proliferator activator receptor antagonist PPARA, PPARD, PPARG GRIN2B 2372/4885CYP2D6 3895/4885CYP2C9 3382/4885

“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.