SCHEMBL2917294

SCHEMBL2917294

CNC(=O)C1CNCCC[N]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL752438 0.89 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL716482 0.79 SLC6A1 (0.35) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL2913439 0.77 SLC6A1 (0.45) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL2918078 0.76 KDM4E (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL10702729 0.75 SLC6A1 (0.32) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2910857 0.75 GLI1 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL3547379 0.75
SCHEMBL5163167 0.75
SCHEMBL1468230 0.75
SCHEMBL5661852 0.74 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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 12 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

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 CHRNB2 3983/4885CHRNA4 4151/4885CHRNA7 3884/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CHRNB2 4294/4885CHRNA4 4358/4885CHRNA7 4207/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 CHRNB2 4772/4885CHRNA4 4743/4885CHRNA7 4696/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 CHRNB2 2997/4885CHRNA4 3227/4885CHRNA7 3075/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 CHRNB2 4872/4885CHRNA4 4864/4885CHRNA7 4842/4885

“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.