SCHEMBL1928709

SCHEMBL1928709

[CH]1CCCCC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GBA1 P04062 1/20 0.41
SLC18A3 Q16572 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HSD11B1 P28845 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL27514317 0.98 POLB (0.44) POLBGBA1SLC18A3NOS3NOS1
SCHEMBL1929149 0.94 POLB (0.43) POLBGBA1NOS3NOS1NOS2
SCHEMBL1930265 0.87 GBA1 (0.47) POLBGBA1CCR3
SCHEMBL6567840 0.81 SLC18A2 (0.46)
SCHEMBL7535902 0.79 POLB (0.42) POLBGBA1SLC18A3HSD11B1
SCHEMBL7535898 0.79 POLB (0.42) POLBGBA1SLC18A3HSD11B1
SCHEMBL5722050 0.78 SLC18A3 (0.41) SLC18A3
SCHEMBL29023326 0.77 TSHR (0.45)
SCHEMBL6570849 0.74 SLC18A2 (0.47)
SCHEMBL5411582 0.74 POLB (0.41) POLBGBA1NOS3NOS1NOS2

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456183-B2 Guanidino compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-25 US claimed
US-7189727-B2 Guanidino compounds CHIRON CORPORATION (US) 2007-03-13 US claimed
EP-1385823-B1 GUANIDINO COMPOUNDS AS MELANOCORTIN-4 RECEPTOR (MC4-R) AGONISTS CHIRON CORP (US) 2006-12-13 EP claimed
US-6960582-B2 Guanidino compounds CHIRON CORPORATION (US) 2005-11-01 US claimed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US claimed
US-20050038027-A1 Novel guanidino compounds CHIRON CORPORATION 2005-02-17 US claimed
US-20040248895-A1 Novel guanidino compounds CHU DANIEL (US) 2004-12-09 US claimed
EP-1478626-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-11-24 EP claimed
US-6716840-B2 AGONISTS OF THE MELANOCORTIN-4 RECEPTOR (?MC-4R?); USEFUL TREATING OBESITY AND TYPE 2 DIABETES CHIRON CORPORATION 2004-04-06 US claimed
US-20040024211-A1 Novel guanidino compounds CHIRON CORPORATION 2004-02-05 US claimed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 US claimed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 WO claimed
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-7956010-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
US-7858641-B2 melanocortin-4 receptor (MC4-R) agonists such as (3R,5S)-N-(2-{2-[2-fluoro-4-(methyloxy)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-3,5-dimethyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide, used for the treatment of obesity or diabetes NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 US disclosed
US-7858631-B2 Substituted pyrido [2,3-d] pyrimidinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 US disclosed
EP-0205079-A2 Acid disulfimide triphenodioxazine dyes BAYER AG (DE) 1986-12-17 EP disclosed
EP-0205080-A2 Triphenodioxazine-disulfimide reactive dyes BAYER AG (DE) 1986-12-17 EP disclosed
EP-0204245-A2 Reactive dyes BAYER AG (DE) 1986-12-10 EP disclosed
EP-0190603-A2 Aminoalkylenesulfone-triphenedioxazine dyes BAYER AG (DE) 1986-08-13 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 (5 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-20050038027-A1 Novel guanidino compounds MC4R, MC3R, GCKR POLB 2657/4885GBA1 1181/4885SLC18A3 3041/4885
US-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 POLB 3791/4885GBA1 1028/4885SLC18A3 1126/4885
US-20040024211-A1 Novel guanidino compounds MC4R, MC5R, MC3R POLB 3486/4885GBA1 3079/4885SLC18A3 1985/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 POLB 3791/4885GBA1 1028/4885SLC18A3 1126/4885
US-20040248895-A1 Novel guanidino compounds MC4R, MC5R, MC3R POLB 3859/4885GBA1 2964/4885SLC18A3 2433/4885

“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.