SCHEMBL5609954

SCHEMBL5609954

C[CH]CCCc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
MTNR1A P48039 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
SLC18A2 Q05940 1/20 0.46
NQO2 P16083 1/20 0.46
CYP2C9 P11712 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
BCHE P06276 1/20 0.44

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
SCHEMBL10481909 0.93 SIGMAR1 (0.48) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL7700283 0.89 CYP1A2 (0.50) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL30424192 0.86 SIGMAR1 (0.48) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL9216856 0.85 CYP1A2 (0.48) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL4322750 0.82 MTNR1A (0.45) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL9800436 0.82 CYP1A2 (0.58) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL5830948 0.82 GPR84 (0.59) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL1610599 0.81 CYP1A2 (0.46) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL143128 0.81 MTNR1A (0.47) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL6028071 0.81 TLR8 (0.50) SIGMAR1MTNR1ACYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
CN-1204262-C Method for producing optically active amines BASF AG (DE) 2005-06-01 CN disclosed
CN-1195764-C Transition metal complex, preparation method and use thereof BASF AG (DE) 2005-04-06 CN disclosed
CN-1496991-A Chirality monophosphorous compound and its transition metal compound 2004-05-19 CN disclosed
CN-1493576-A Chiral diphosphorus compound and its transition metal compounding product 2004-05-05 CN disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
CN-1131233-C Carbohydrate derivatives and their solid-phase synthesis BASF AG (DE) 2003-12-17 CN disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
CN-1399687-A Process for preparing optically active amines BASF AG (DE) 2003-02-26 CN disclosed
CN-1330074-A Transition metal complex, preparation method and use thereof BASF AG (DE) 2002-01-09 CN disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
CN-1072227-C Optically active diphosphine ligands BASF AG (DE) 2001-10-03 CN disclosed
CN-1219937-A Carbohydrate derivatives and their solid-phase synthesis BASF AG (DE) 1999-06-16 CN disclosed
CN-1202492-A Optically active diphosphine ligands BASF AG (DE) 1998-12-23 CN 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 (4 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 SIGMAR1 950/4885MTNR1A 886/4885CYP1A2 297/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 SIGMAR1 950/4885MTNR1A 886/4885CYP1A2 297/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 SIGMAR1 3663/4885MTNR1A 898/4885CYP1A2 4073/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 SIGMAR1 3663/4885MTNR1A 898/4885CYP1A2 4073/4885

“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.