SCHEMBL2911480

SCHEMBL2911480

CNC(=O)CC1CNCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 5/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADRA2C P18825 1/20 0.36
SSTR4 P31391 2/20 0.35
BRD4 O60885 2/20 0.35
CHEK1 O14757 2/20 0.33
FECH P22830 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL25043759 0.83 WNT1 (0.40) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL15571986 0.80 SLC6A2 (0.39) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL1655323 0.79 ADRA2C (0.42) WNT1GSK3BDYRK1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL15573747 0.79 SLC6A2 (0.39) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL29953294 0.78 CYP1A2 (0.47) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL1035792 0.78 CYP1A2 (0.47) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL29956504 0.78 CYP1A2 (0.47) WNT1GSK3BDYRK1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL15550523 0.78 ADRA2C (0.41) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL2881934 0.77 SLC6A2 (0.36) WNT1GSK3BDYRK1ASLC6A2SLC6A4
SCHEMBL30301515 0.77 SLC6A2 (0.36) WNT1GSK3BDYRK1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
US-5348954-A Heterocyclic chelating agents NYCOMED IMAGING AS (NO) 1994-09-20 US disclosed
EP-0452392-A1 HETEROCYCLIC CHELATING AGENTS. NYCOMED AS (NO) 1991-10-23 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R WNT1 884/4885GSK3B 3358/4885DYRK1A 2578/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 WNT1 528/4885GSK3B 3114/4885DYRK1A 4483/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 WNT1 1594/4885GSK3B 2065/4885DYRK1A 3967/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 WNT1 709/4885GSK3B 4084/4885DYRK1A 4541/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 WNT1 1700/4885GSK3B 1952/4885DYRK1A 4383/4885

“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.