SCHEMBL1600792

SCHEMBL1600792

Clc1ccc(CC2CNCCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
LTA4H P09960 3/20 0.43
HTR3A P46098 1/20 0.41
PARP1 P09874 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A3 Q01959 1/20 0.36
REN P00797 2/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
PGC P20142 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
SCHEMBL1600790 1.00 HRH3 (0.49) HRH3LTA4HHTR3APARP1POLB
SCHEMBL28312667 0.84 SLC6A4 (0.37) HRH3CYP3A4CYP2D6CYP2C9SLC6A2
SCHEMBL5563658 0.83 LTA4H (0.41) LTA4HHTR3A
SCHEMBL5563651 0.83 LTA4H (0.41) LTA4HHTR3A
SCHEMBL5563370 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLBREN
SCHEMBL5504868 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLBSLC6A2
SCHEMBL4978859 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLBSLC6A2
SCHEMBL5563368 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLBREN
SCHEMBL4749981 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLB
SCHEMBL26881718 0.82 HRH3 (0.49) HRH3LTA4HPARP1POLBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809282-B1 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2013-01-09 EP disclosed
US-7919514-B2 Protein kinase B inhibitors; anticarcinogenic, antiinflammatory and antiproliferative agents; metabolic disorders; 3-(3-fluoro-phenyl)-N-[5-(3-methyl-1H-indazol-5-yl)-[1,3,4]thiadiazol-2-yl]-propane-1,2-diamine and derivatives AMGEN INC. (US) 2011-04-05 US disclosed
US-7700636-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2010-04-20 US disclosed
CN-101389335-A Thiadiazole compounds and methods of use. AMGEN INC (US) 2009-03-18 CN disclosed
US-20080269243-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-30 US disclosed
US-20080255145-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-16 US disclosed
US-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 US disclosed
EP-1809282-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2007-07-25 EP disclosed
US-20060154961-A1 Thiadiazole compounds and methods of use AMGEN INC. 2006-07-13 US disclosed
WO-2006044860-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-04-27 WO disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2000076981-A1 PIPERIDINYL AND PIPERAZINYL SUBSTITUTED BENZOFUSED LACTAMS NEUROGEN CORPORATION (US) 2000-12-21 WO 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 (3 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-20080255145-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 HRH3 1605/4885LTA4H 1196/4885HTR3A 1847/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 HRH3 1605/4885LTA4H 1196/4885HTR3A 1847/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 HRH3 1605/4885LTA4H 1196/4885HTR3A 1847/4885

“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.